CID 18473684

1344408-15-6

Structural Information

Molecular Formula

C₉H₈ClNO₂

SMILES

C1C(NC2=C1C=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C9H8ClNO2/c10-6-1-2-7-5(3-6)4-8(11-7)9(12)13/h1-3,8,11H,4H2,(H,12,13)

InChIKey

FXZZXHFPSBXQKT-UHFFFAOYSA-N

Compound name

5-chloro-2,3-dihydro-1H-indole-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 63
Patents: 197.02435 Da
Monoisotopic Mass: 2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	198.03163	138.9
[M+Na]+	220.01357	148.3
[M-H]-	196.01707	139.6
[M+NH4]+	215.05817	159.4
[M+K]+	235.98751	143.2
[M+H-H2O]+	180.02161	134.3
[M+HCOO]-	242.02255	153.3
[M+CH3COO]-	256.03820	176.7
[M+Na-2H]-	217.99902	142.7
[M]+	197.02380	137.9
[M]-	197.02490	137.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe