CID 44139521

4-amino-2-fluoro-n-methylbenzamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

399
Patents

168.06989 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.077166 132.6
[M+Na]+ 191.059108 140.8
[M-H]- 167.062614 135.2
[M+NH4]+ 186.103713 152.6
[M+K]+ 207.033048 138.6
[M+H-H2O]+ 151.067150 125.9
[M+HCOO]- 213.068091 157.3
[M+CH3COO]- 227.083741 183.7
[M+Na-2H]- 189.044556 137.5
[M]+ 168.06934142 129.3
[M]- 168.07043858 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

literature stripe

Patent stripe

patents stripe