CID 600772

2'-(trifluoromethoxy)acetanilide

Structural Information

Molecular Formula
C9H8F3NO2
SMILES
CC(=O)NC1=CC=CC=C1OC(F)(F)F
InChI
InChI=1S/C9H8F3NO2/c1-6(14)13-7-4-2-3-5-8(7)15-9(10,11)12/h2-5H,1H3,(H,13,14)
InChIKey
KZBHIVIJYKKLHL-UHFFFAOYSA-N
Compound name
N-[2-(trifluoromethoxy)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

42
Patents

219.05072 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.05800 141.4
[M+Na]+ 242.03994 149.5
[M-H]- 218.04344 141.4
[M+NH4]+ 237.08454 159.6
[M+K]+ 258.01388 147.6
[M+H-H2O]+ 202.04798 133.1
[M+HCOO]- 264.04892 161.9
[M+CH3COO]- 278.06457 188.5
[M+Na-2H]- 240.02539 146.8
[M]+ 219.05017 138.2
[M]- 219.05127 138.2
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