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]+ 209.03639 139.5
[M+Na]+ 231.01833 152.1
[M-H]- 207.02183 144.8
[M+NH4]+ 226.06293 158.0
[M+K]+ 246.99227 145.7
[M+H-H2O]+ 191.02637 135.8
[M+HCOO]- 253.02731 155.8
[M+CH3COO]- 267.04296 153.2
[M+Na-2H]- 229.00378 144.2
[M]+ 208.02856 144.7
[M]- 208.02966 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.