CID 17899508

N-(2,2,2-trifluoroethyl)benzamide

Structural Information

Molecular Formula
C9H8F3NO
SMILES
C1=CC=C(C=C1)C(=O)NCC(F)(F)F
InChI
InChI=1S/C9H8F3NO/c10-9(11,12)6-13-8(14)7-4-2-1-3-5-7/h1-5H,6H2,(H,13,14)
InChIKey
MWDZXUOUTGAFAL-UHFFFAOYSA-N
Compound name
N-(2,2,2-trifluoroethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

203
Patents

203.0558 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.063076 138.6
[M+Na]+ 226.045018 145.9
[M-H]- 202.048524 138.3
[M+NH4]+ 221.089623 157.2
[M+K]+ 242.018958 143.4
[M+H-H2O]+ 186.053060 130.3
[M+HCOO]- 248.054001 158.9
[M+CH3COO]- 262.069651 185.3
[M+Na-2H]- 224.030466 144.7
[M]+ 203.05525142 133.6
[M]- 203.05634858 133.6
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

patents stripe