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

4
Patents

237.08012 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.087396 150.6
[M+Na]+ 260.069338 158.3
[M-H]- 236.072844 151.1
[M+NH4]+ 255.113943 169.1
[M+K]+ 276.043278 155.2
[M+H-H2O]+ 220.077380 143.6
[M+HCOO]- 282.078321 168.5
[M+CH3COO]- 296.093971 188.6
[M+Na-2H]- 258.054786 152.1
[M]+ 237.07957142 149.5
[M]- 237.08066858 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