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 163.4
[M+Na]+ 287.08092 171.3
[M-H]- 263.08442 168.2
[M+NH4]+ 282.12552 187.2
[M+K]+ 303.05486 165.3
[M+H-H2O]+ 247.08896 159.3
[M+HCOO]- 309.08990 177.8
[M+CH3COO]- 323.10555 175.2
[M+Na-2H]- 285.06637 164.2
[M]+ 264.09115 163.6
[M]- 264.09225 163.6
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.