CID 138396437

2-fluoro-3-(4-fluoro-2-nitrobenzamido)-n-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]benzamide

Structural Information

Molecular Formula
C25H16F9N3O4
SMILES
CC1=CC(=CC(=C1NC(=O)C2=C(C(=CC=C2)NC(=O)C3=C(C=C(C=C3)F)[N+](=O)[O-])F)C)C(C(F)(F)F)(C(F)(F)F)F
InChI
InChI=1S/C25H16F9N3O4/c1-11-8-13(23(28,24(29,30)31)25(32,33)34)9-12(2)20(11)36-22(39)16-4-3-5-17(19(16)27)35-21(38)15-7-6-14(26)10-18(15)37(40)41/h3-10H,1-2H3,(H,35,38)(H,36,39)
InChIKey
MIPUSCPBEUAWLF-UHFFFAOYSA-N
Compound name
2-fluoro-3-[(4-fluoro-2-nitrobenzoyl)amino]-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

593.09973 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 594.10701 226.4
[M+Na]+ 616.08895 233.3
[M-H]- 592.09245 225.4
[M+NH4]+ 611.13355 227.9
[M+K]+ 632.06289 223.2
[M+H-H2O]+ 576.09699 214.1
[M+HCOO]- 638.09793 235.2
[M+CH3COO]- 652.11358 255.7
[M+Na-2H]- 614.07440 226.5
[M]+ 593.09918 214.5
[M]- 593.10028 214.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.