CID 89897

22902-93-8

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

283
Patents

203.0558 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.063076 138.6
[M+Na]+ 226.045018 146.8
[M-H]- 202.048524 138.1
[M+NH4]+ 221.089623 157.2
[M+K]+ 242.018958 143.9
[M+H-H2O]+ 186.053060 130.5
[M+HCOO]- 248.054001 158.2
[M+CH3COO]- 262.069651 186.5
[M+Na-2H]- 224.030466 142.9
[M]+ 203.05525142 133.0
[M]- 203.05634858 133.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe