CID 33653

Tai 129

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

0
Patents

278.10736 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.11464 158.2
[M+Na]+ 301.09658 165.4
[M-H]- 277.10008 166.4
[M+NH4]+ 296.14118 171.2
[M+K]+ 317.07052 160.9
[M+H-H2O]+ 261.10462 152.4
[M+HCOO]- 323.10556 171.7
[M+CH3COO]- 337.12121 197.4
[M+Na-2H]- 299.08203 160.6
[M]+ 278.10681 158.0
[M]- 278.10791 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