CID 54594349

2-[(4-chlorophenyl)methyl]bicyclo[2.2.1]heptane-2-carboxylic acid

Structural Information

Molecular Formula
C15H17ClO2
SMILES
C1CC2CC1CC2(CC3=CC=C(C=C3)Cl)C(=O)O
InChI
InChI=1S/C15H17ClO2/c16-13-5-2-10(3-6-13)8-15(14(17)18)9-11-1-4-12(15)7-11/h2-3,5-6,11-12H,1,4,7-9H2,(H,17,18)
InChIKey
YQJWERNTXSCVRQ-UHFFFAOYSA-N
Compound name
2-[(4-chlorophenyl)methyl]bicyclo[2.2.1]heptane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.0917 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.09898 158.4
[M+Na]+ 287.08092 169.1
[M+NH4]+ 282.12552 169.3
[M+K]+ 303.05486 163.6
[M-H]- 263.08442 160.5
[M+Na-2H]- 285.06637 163.0
[M]+ 264.09115 160.8
[M]- 264.09225 160.8
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.