CID 12318481

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
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

patents stripe