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

42
Patents

196.02911 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.036386 139.1
[M+Na]+ 219.018328 148.7
[M-H]- 195.021834 142.6
[M+NH4]+ 214.062933 161.8
[M+K]+ 234.992268 144.1
[M+H-H2O]+ 179.026370 135.3
[M+HCOO]- 241.027311 156.1
[M+CH3COO]- 255.042961 179.6
[M+Na-2H]- 217.003776 143.0
[M]+ 196.02856142 139.9
[M]- 196.02965858 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

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