CID 33653

1-(3-chloro-4-cyclohexylphenyl)cyclopropane-1-carboxylic acid

Structural Information

Molecular Formula
C16H19ClO2
SMILES
C1CCC(CC1)C2=C(C=C(C=C2)C3(CC3)C(=O)O)Cl
InChI
InChI=1S/C16H19ClO2/c17-14-10-12(16(8-9-16)15(18)19)6-7-13(14)11-4-2-1-3-5-11/h6-7,10-11H,1-5,8-9H2,(H,18,19)
InChIKey
GQPHFVLGXFRQSF-UHFFFAOYSA-N
Compound name
1-(3-chloro-4-cyclohexylphenyl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

278.10736 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.114636 158.2
[M+Na]+ 301.096578 165.4
[M-H]- 277.100084 166.4
[M+NH4]+ 296.141183 171.2
[M+K]+ 317.070518 160.9
[M+H-H2O]+ 261.104620 152.4
[M+HCOO]- 323.105561 171.7
[M+CH3COO]- 337.121211 197.4
[M+Na-2H]- 299.082026 160.6
[M]+ 278.10681142 158.0
[M]- 278.10790858 158.0
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