CID 2782740

393183-92-1

Structural Information

Molecular Formula
C12H12FNO3
SMILES
C1CN(C2=C1C=C(C=C2)F)C(=O)CCC(=O)O
InChI
InChI=1S/C12H12FNO3/c13-9-1-2-10-8(7-9)5-6-14(10)11(15)3-4-12(16)17/h1-2,7H,3-6H2,(H,16,17)
InChIKey
ZDCJLZIXLLVVRJ-UHFFFAOYSA-N
Compound name
4-(5-fluoro-2,3-dihydroindol-1-yl)-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

237.08012 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.08740 152.5
[M+Na]+ 260.06934 161.7
[M+NH4]+ 255.11394 158.6
[M+K]+ 276.04328 158.9
[M-H]- 236.07284 150.5
[M+Na-2H]- 258.05479 154.4
[M]+ 237.07957 152.8
[M]- 237.08067 152.8
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