CID 13249910

4-amino-3-fluoro-n-methylbenzamide

Structural Information

Molecular Formula
C8H9FN2O
SMILES
CNC(=O)C1=CC(=C(C=C1)N)F
InChI
InChI=1S/C8H9FN2O/c1-11-8(12)5-2-3-7(10)6(9)4-5/h2-4H,10H2,1H3,(H,11,12)
InChIKey
WZBSQFIZISUXHQ-UHFFFAOYSA-N
Compound name
4-amino-3-fluoro-N-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

66
Patents

168.06989 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.07717 133.3
[M+Na]+ 191.05911 143.5
[M+NH4]+ 186.10371 140.6
[M+K]+ 207.03305 138.4
[M-H]- 167.06261 134.5
[M+Na-2H]- 189.04456 139.0
[M]+ 168.06934 134.7
[M]- 168.07044 134.7
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