CID 138396429

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

Structural Information

Molecular Formula
C25H16ClF9N2O2
SMILES
CC1=CC(=CC(=C1NC(=O)C2=C(C(=CC=C2)NC(=O)C3=C(C=C(C=C3)F)Cl)F)C)C(C(F)(F)F)(C(F)(F)F)F
InChI
InChI=1S/C25H16ClF9N2O2/c1-11-8-13(23(29,24(30,31)32)25(33,34)35)9-12(2)20(11)37-22(39)16-4-3-5-18(19(16)28)36-21(38)15-7-6-14(27)10-17(15)26/h3-10H,1-2H3,(H,36,38)(H,37,39)
InChIKey
HBHOXSNCXYUTMG-UHFFFAOYSA-N
Compound name
3-[(2-chloro-4-fluorobenzoyl)amino]-2-fluoro-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

582.0757 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 583.08298 228.6
[M+Na]+ 605.06492 238.8
[M-H]- 581.06842 227.8
[M+NH4]+ 600.10952 232.9
[M+K]+ 621.03886 230.1
[M+H-H2O]+ 565.07296 212.8
[M+HCOO]- 627.07390 232.4
[M+CH3COO]- 641.08955 258.6
[M+Na-2H]- 603.05037 224.5
[M]+ 582.07515 220.9
[M]- 582.07625 220.9
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.