CID 137703159

3-chloro-1h,1ah,6h,6ah-cyclopropa[a]indene-1-carboxylic acid

Structural Information

Molecular Formula
C11H9ClO2
SMILES
C1C2C(C2C(=O)O)C3=C1C=CC(=C3)Cl
InChI
InChI=1S/C11H9ClO2/c12-6-2-1-5-3-8-9(7(5)4-6)10(8)11(13)14/h1-2,4,8-10H,3H2,(H,13,14)
InChIKey
WLJLPPNLAMGCOO-UHFFFAOYSA-N
Compound name
3-chloro-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.02911 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.036386 139.5
[M+Na]+ 231.018328 152.1
[M-H]- 207.021834 144.8
[M+NH4]+ 226.062933 158.0
[M+K]+ 246.992268 145.7
[M+H-H2O]+ 191.026370 135.8
[M+HCOO]- 253.027311 155.8
[M+CH3COO]- 267.042961 153.2
[M+Na-2H]- 229.003776 144.2
[M]+ 208.02856142 144.7
[M]- 208.02965858 144.7
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

No patent data available for this compound.