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

202
Patents

203.0558 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.06308 138.6
[M+Na]+ 226.04502 145.9
[M-H]- 202.04852 138.3
[M+NH4]+ 221.08962 157.2
[M+K]+ 242.01896 143.4
[M+H-H2O]+ 186.05306 130.3
[M+HCOO]- 248.05400 158.9
[M+CH3COO]- 262.06965 185.3
[M+Na-2H]- 224.03047 144.7
[M]+ 203.05525 133.6
[M]- 203.05635 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