CID 62650272

3-fluoro-2-(methylamino)benzamide

Structural Information

Molecular Formula
C8H9FN2O
SMILES
CNC1=C(C=CC=C1F)C(=O)N
InChI
InChI=1S/C8H9FN2O/c1-11-7-5(8(10)12)3-2-4-6(7)9/h2-4,11H,1H3,(H2,10,12)
InChIKey
JQRQTQLPPDPTRD-UHFFFAOYSA-N
Compound name
3-fluoro-2-(methylamino)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

168.06989 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.077166 132.4
[M+Na]+ 191.059108 140.4
[M-H]- 167.062614 134.9
[M+NH4]+ 186.103713 152.3
[M+K]+ 207.033048 138.3
[M+H-H2O]+ 151.067150 125.6
[M+HCOO]- 213.068091 157.0
[M+CH3COO]- 227.083741 184.4
[M+Na-2H]- 189.044556 137.3
[M]+ 168.06934142 129.1
[M]- 168.07043858 129.1
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