CID 69739

2-amino-4-(trifluoromethyl)benzamide

Structural Information

Molecular Formula
C8H7F3N2O
SMILES
C1=CC(=C(C=C1C(F)(F)F)N)C(=O)N
InChI
InChI=1S/C8H7F3N2O/c9-8(10,11)4-1-2-5(7(13)14)6(12)3-4/h1-3H,12H2,(H2,13,14)
InChIKey
OUHZMLIWMQFCIR-UHFFFAOYSA-N
Compound name
2-amino-4-(trifluoromethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

85
Patents

204.05104 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.058316 138.1
[M+Na]+ 227.040258 146.8
[M-H]- 203.043764 137.6
[M+NH4]+ 222.084863 156.3
[M+K]+ 243.014198 143.8
[M+H-H2O]+ 187.048300 130.1
[M+HCOO]- 249.049241 158.4
[M+CH3COO]- 263.064891 189.1
[M+Na-2H]- 225.025706 141.5
[M]+ 204.05049142 130.8
[M]- 204.05158858 130.8
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