CID 51342092

1228552-97-3

Structural Information

Molecular Formula
C10H8ClNO3
SMILES
C1=CC2=C(C=C1Cl)C(C(=O)N2)CC(=O)O
InChI
InChI=1S/C10H8ClNO3/c11-5-1-2-8-6(3-5)7(4-9(13)14)10(15)12-8/h1-3,7H,4H2,(H,12,15)(H,13,14)
InChIKey
KCRLPVUNGCRWTF-UHFFFAOYSA-N
Compound name
2-(5-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]+ 226.02655 144.8
[M+Na]+ 248.00849 154.9
[M-H]- 224.01199 145.8
[M+NH4]+ 243.05309 164.3
[M+K]+ 263.98243 149.5
[M+H-H2O]+ 208.01653 140.3
[M+HCOO]- 270.01747 159.3
[M+CH3COO]- 284.03312 182.3
[M+Na-2H]- 245.99394 147.6
[M]+ 225.01872 145.4
[M]- 225.01982 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.