CID 137945255

3-(4-chlorophenyl)bicyclo[1.1.1]pentane-1-carboxylic acid

Structural Information

Molecular Formula
C12H11ClO2
SMILES
C1C2(CC1(C2)C(=O)O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C12H11ClO2/c13-9-3-1-8(2-4-9)11-5-12(6-11,7-11)10(14)15/h1-4H,5-7H2,(H,14,15)
InChIKey
DDORVEUZSDLWRI-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)bicyclo[1.1.1]pentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

222.04475 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.05203 147.0
[M+Na]+ 245.03397 146.8
[M+NH4]+ 240.07857 147.7
[M+K]+ 261.00791 143.7
[M-H]- 221.03747 141.7
[M+Na-2H]- 243.01942 146.3
[M]+ 222.04420 143.3
[M]- 222.04530 143.3
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

patents stripe