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]+ 169.07717 132.8
[M+Na]+ 191.05911 141.8
[M-H]- 167.06261 135.2
[M+NH4]+ 186.10371 152.8
[M+K]+ 207.03305 139.3
[M+H-H2O]+ 151.06715 126.3
[M+HCOO]- 213.06809 156.8
[M+CH3COO]- 227.08374 185.0
[M+Na-2H]- 189.04456 135.9
[M]+ 168.06934 128.9
[M]- 168.07044 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.