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

849
Patents

205.03506 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.04234 137.0
[M+Na]+ 228.02428 145.5
[M-H]- 204.02778 136.6
[M+NH4]+ 223.06888 155.4
[M+K]+ 243.99822 143.4
[M+H-H2O]+ 188.03232 128.8
[M+HCOO]- 250.03326 157.1
[M+CH3COO]- 264.04891 185.5
[M+Na-2H]- 226.00973 141.9
[M]+ 205.03451 132.5
[M]- 205.03561 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