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

57
Patents

197.02435 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.031626 138.9
[M+Na]+ 220.013568 148.3
[M-H]- 196.017074 139.6
[M+NH4]+ 215.058173 159.4
[M+K]+ 235.987508 143.2
[M+H-H2O]+ 180.021610 134.3
[M+HCOO]- 242.022551 153.3
[M+CH3COO]- 256.038201 176.7
[M+Na-2H]- 217.999016 142.7
[M]+ 197.02380142 137.9
[M]- 197.02489858 137.9
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