CID 64914377

1368631-93-9

Structural Information

Molecular Formula
C10H8ClNO3
SMILES
C1=CC2=C(C=C1Cl)NC(=O)C2CC(=O)O
InChI
InChI=1S/C10H8ClNO3/c11-5-1-2-6-7(4-9(13)14)10(15)12-8(6)3-5/h1-3,7H,4H2,(H,12,15)(H,13,14)
InChIKey
UGTURONJYZTWAN-UHFFFAOYSA-N
Compound name
2-(6-chloro-2-oxo-1,3-dihydroindol-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.01927 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.026546 144.8
[M+Na]+ 248.008488 154.9
[M-H]- 224.011994 145.8
[M+NH4]+ 243.053093 164.3
[M+K]+ 263.982428 149.5
[M+H-H2O]+ 208.016530 140.3
[M+HCOO]- 270.017471 159.3
[M+CH3COO]- 284.033121 182.3
[M+Na-2H]- 245.993936 147.6
[M]+ 225.01872142 145.4
[M]- 225.01981858 145.4
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.