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]+ 287.06001 161.1
[M+Na]+ 309.04195 168.2
[M-H]- 285.04545 165.3
[M+NH4]+ 304.08655 177.6
[M+K]+ 325.01589 161.9
[M+H-H2O]+ 269.04999 156.2
[M+HCOO]- 331.05093 169.8
[M+CH3COO]- 345.06658 196.3
[M+Na-2H]- 307.02740 161.4
[M]+ 286.05218 160.3
[M]- 286.05328 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.