CID 17498641

949258-08-6

Structural Information

Molecular Formula
C18H13F5N2O2
SMILES
C1CC1C(=O)NC2=CC(=C(C=C2)NC(=O)C3=CC(=CC(=C3)F)F)C(F)(F)F
InChI
InChI=1S/C18H13F5N2O2/c19-11-5-10(6-12(20)7-11)17(27)25-15-4-3-13(8-14(15)18(21,22)23)24-16(26)9-1-2-9/h3-9H,1-2H2,(H,24,26)(H,25,27)
InChIKey
RLSSVOBMFVLAPP-UHFFFAOYSA-N
Compound name
N-[4-(cyclopropanecarbonylamino)-2-(trifluoromethyl)phenyl]-3,5-difluorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.08972 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.09700 170.3
[M+Na]+ 407.07894 179.2
[M-H]- 383.08244 174.5
[M+NH4]+ 402.12354 176.8
[M+K]+ 423.05288 172.7
[M+H-H2O]+ 367.08698 158.3
[M+HCOO]- 429.08792 188.0
[M+CH3COO]- 443.10357 224.9
[M+Na-2H]- 405.06439 171.2
[M]+ 384.08917 166.3
[M]- 384.09027 166.3
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.