CID 25239181

3-amino-4-fluoro-n-methylbenzamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
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 132.6
[M+Na]+ 191.05911 140.8
[M-H]- 167.06261 135.2
[M+NH4]+ 186.10371 152.6
[M+K]+ 207.03305 138.6
[M+H-H2O]+ 151.06715 125.9
[M+HCOO]- 213.06809 157.3
[M+CH3COO]- 227.08374 183.7
[M+Na-2H]- 189.04456 137.5
[M]+ 168.06934 129.3
[M]- 168.07044 129.3
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