CID 10488394

3-amino-5-(trifluoromethyl)benzamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

204.05104 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.05832 138.1
[M+Na]+ 227.04026 146.8
[M-H]- 203.04376 137.6
[M+NH4]+ 222.08486 156.3
[M+K]+ 243.01420 143.8
[M+H-H2O]+ 187.04830 130.1
[M+HCOO]- 249.04924 158.4
[M+CH3COO]- 263.06489 189.1
[M+Na-2H]- 225.02571 141.5
[M]+ 204.05049 130.8
[M]- 204.05159 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