CID 126822118

5-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/c12-8-3-1-2-5-6(8)4-7-9(5)10(7)11(13)14/h1-3,7,9-10H,4H2,(H,13,14)
InChIKey
JZLKUPNAUQTSJI-UHFFFAOYSA-N
Compound name
5-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 139.3
[M+Na]+ 231.01833 153.7
[M+NH4]+ 226.06293 149.7
[M+K]+ 246.99227 150.1
[M-H]- 207.02183 147.9
[M+Na-2H]- 229.00378 145.9
[M]+ 208.02856 145.1
[M]- 208.02966 145.1
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.