CID 24265157

1185431-26-8

Structural Information

Molecular Formula
C10H9FN2O
SMILES
C1=CC2=C(C=C1F)NC(=O)C(=C2)CN
InChI
InChI=1S/C10H9FN2O/c11-8-2-1-6-3-7(5-12)10(14)13-9(6)4-8/h1-4H,5,12H2,(H,13,14)
InChIKey
LBGNVBHSPVERES-UHFFFAOYSA-N
Compound name
3-(aminomethyl)-7-fluoro-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.06989 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.077166 137.1
[M+Na]+ 215.059108 147.5
[M-H]- 191.062614 138.0
[M+NH4]+ 210.103713 155.7
[M+K]+ 231.033048 142.4
[M+H-H2O]+ 175.067150 129.9
[M+HCOO]- 237.068091 158.2
[M+CH3COO]- 251.083741 183.5
[M+Na-2H]- 213.044556 144.2
[M]+ 192.06934142 133.9
[M]- 192.07043858 133.9
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.