CID 138396424

2,5-difluoro-n-(3-{[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]carbamoyl}phenyl)benzamide

Structural Information

Molecular Formula
C25H17F9N2O2
SMILES
CC1=CC(=CC(=C1NC(=O)C2=CC(=CC=C2)NC(=O)C3=C(C=CC(=C3)F)F)C)C(C(F)(F)F)(C(F)(F)F)F
InChI
InChI=1S/C25H17F9N2O2/c1-12-8-15(23(28,24(29,30)31)25(32,33)34)9-13(2)20(12)36-21(37)14-4-3-5-17(10-14)35-22(38)18-11-16(26)6-7-19(18)27/h3-11H,1-2H3,(H,35,38)(H,36,37)
InChIKey
DAQVNRRSRQBTRV-UHFFFAOYSA-N
Compound name
2,5-difluoro-N-[3-[[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]carbamoyl]phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

548.1146 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 549.12188 224.5
[M+Na]+ 571.10382 233.0
[M-H]- 547.10732 223.3
[M+NH4]+ 566.14842 228.7
[M+K]+ 587.07776 225.6
[M+H-H2O]+ 531.11186 207.8
[M+HCOO]- 593.11280 232.2
[M+CH3COO]- 607.12845 254.3
[M+Na-2H]- 569.08927 221.0
[M]+ 548.11405 213.3
[M]- 548.11515 213.3
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.