CID 9929731

2,2-dichloro-12-(p-chlorophenyl)-dodecanoic acid

Structural Information

Molecular Formula
C18H25Cl3O2
SMILES
C1=CC(=CC=C1CCCCCCCCCCC(C(=O)O)(Cl)Cl)Cl
InChI
InChI=1S/C18H25Cl3O2/c19-16-12-10-15(11-13-16)9-7-5-3-1-2-4-6-8-14-18(20,21)17(22)23/h10-13H,1-9,14H2,(H,22,23)
InChIKey
GPCJDSXBRMKASP-UHFFFAOYSA-N
Compound name
2,2-dichloro-12-(4-chlorophenyl)dodecanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

12
References

597
Patents

378.092 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.09928 186.5
[M+Na]+ 401.08122 192.3
[M-H]- 377.08472 186.0
[M+NH4]+ 396.12582 199.5
[M+K]+ 417.05516 184.2
[M+H-H2O]+ 361.08926 182.1
[M+HCOO]- 423.09020 189.9
[M+CH3COO]- 437.10585 213.8
[M+Na-2H]- 399.06667 186.2
[M]+ 378.09145 192.4
[M]- 378.09255 192.4
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.