CID 54594468

2-amino-5-fluoro-4-methylbenzamide

Structural Information

Molecular Formula
C8H9FN2O
SMILES
CC1=CC(=C(C=C1F)C(=O)N)N
InChI
InChI=1S/C8H9FN2O/c1-4-2-7(10)5(8(11)12)3-6(4)9/h2-3H,10H2,1H3,(H2,11,12)
InChIKey
HLZUHAKHLQHOJH-UHFFFAOYSA-N
Compound name
2-amino-5-fluoro-4-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.06989 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.077166 132.8
[M+Na]+ 191.059108 141.8
[M-H]- 167.062614 135.2
[M+NH4]+ 186.103713 152.8
[M+K]+ 207.033048 139.3
[M+H-H2O]+ 151.067150 126.3
[M+HCOO]- 213.068091 156.8
[M+CH3COO]- 227.083741 185.0
[M+Na-2H]- 189.044556 135.9
[M]+ 168.06934142 128.9
[M]- 168.07043858 128.9
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

No patent data available for this compound.