CID 2777202

2-(trifluoromethoxy)benzamide

Structural Information

Molecular Formula
C8H6F3NO2
SMILES
C1=CC=C(C(=C1)C(=O)N)OC(F)(F)F
InChI
InChI=1S/C8H6F3NO2/c9-8(10,11)14-6-4-2-1-3-5(6)7(12)13/h1-4H,(H2,12,13)
InChIKey
XXTXDVUAHROLBN-UHFFFAOYSA-N
Compound name
2-(trifluoromethoxy)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

920
Patents

205.03506 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.042336 137.0
[M+Na]+ 228.024278 145.5
[M-H]- 204.027784 136.6
[M+NH4]+ 223.068883 155.4
[M+K]+ 243.998218 143.4
[M+H-H2O]+ 188.032320 128.8
[M+HCOO]- 250.033261 157.1
[M+CH3COO]- 264.048911 185.5
[M+Na-2H]- 226.009726 141.9
[M]+ 205.03451142 132.5
[M]- 205.03560858 132.5
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