CID 522189

3-(trifluoromethoxy)benzamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

322
Patents

205.03506 Da
Monoisotopic Mass

2.1
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

literature stripe

Patent stripe

patents stripe