CID 2782740

4-(5-fluoroindolin-1-yl)-4-oxobutanoic acid

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 150.6
[M+Na]+ 260.06934 158.3
[M-H]- 236.07284 151.1
[M+NH4]+ 255.11394 169.1
[M+K]+ 276.04328 155.2
[M+H-H2O]+ 220.07738 143.6
[M+HCOO]- 282.07832 168.5
[M+CH3COO]- 296.09397 188.6
[M+Na-2H]- 258.05479 152.1
[M]+ 237.07957 149.5
[M]- 237.08067 149.5
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