CID 25932

Tai 278

Structural Information

Molecular Formula
C14H16Cl2O2
SMILES
C1CCC(CC1)C2=C(C=C(C(=C2)Cl)CC(=O)O)Cl
InChI
InChI=1S/C14H16Cl2O2/c15-12-8-11(9-4-2-1-3-5-9)13(16)6-10(12)7-14(17)18/h6,8-9H,1-5,7H2,(H,17,18)
InChIKey
NTYFWSQPZNEZFR-UHFFFAOYSA-N
Compound name
2-(2,5-dichloro-4-cyclohexylphenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.05273 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.060006 161.1
[M+Na]+ 309.041948 168.2
[M-H]- 285.045454 165.3
[M+NH4]+ 304.086553 177.6
[M+K]+ 325.015888 161.9
[M+H-H2O]+ 269.049990 156.2
[M+HCOO]- 331.050931 169.8
[M+CH3COO]- 345.066581 196.3
[M+Na-2H]- 307.027396 161.4
[M]+ 286.05218142 160.3
[M]- 286.05327858 160.3
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

No patent data available for this compound.