CID 12397735

7-chloro-2,3-dihydro-1h-indene-1-carboxylic acid

Structural Information

Molecular Formula
C10H9ClO2
SMILES
C1CC2=C(C1C(=O)O)C(=CC=C2)Cl
InChI
InChI=1S/C10H9ClO2/c11-8-3-1-2-6-4-5-7(9(6)8)10(12)13/h1-3,7H,4-5H2,(H,12,13)
InChIKey
VGTKWUFJTDUXJN-UHFFFAOYSA-N
Compound name
7-chloro-2,3-dihydro-1H-indene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.02911 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.03639 139.1
[M+Na]+ 219.01833 148.7
[M-H]- 195.02183 142.6
[M+NH4]+ 214.06293 161.8
[M+K]+ 234.99227 144.1
[M+H-H2O]+ 179.02637 135.3
[M+HCOO]- 241.02731 156.1
[M+CH3COO]- 255.04296 179.6
[M+Na-2H]- 217.00378 143.0
[M]+ 196.02856 139.9
[M]- 196.02966 139.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.