CID 83849951

2375270-00-9

Structural Information

Molecular Formula
C11H13FN2O2
SMILES
CN1CCN(C2=C1C=C(C=C2)F)CC(=O)O
InChI
InChI=1S/C11H13FN2O2/c1-13-4-5-14(7-11(15)16)9-3-2-8(12)6-10(9)13/h2-3,6H,4-5,7H2,1H3,(H,15,16)
InChIKey
UNQHQRZKVXFAEV-UHFFFAOYSA-N
Compound name
2-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.0961 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.10338 148.3
[M+Na]+ 247.08532 156.6
[M-H]- 223.08882 147.4
[M+NH4]+ 242.12992 164.5
[M+K]+ 263.05926 153.1
[M+H-H2O]+ 207.09336 140.2
[M+HCOO]- 269.09430 163.6
[M+CH3COO]- 283.10995 188.6
[M+Na-2H]- 245.07077 152.3
[M]+ 224.09555 145.6
[M]- 224.09665 145.6
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.