CID 17533

2,2-bis(4-chlorophenyl)ethanol

Structural Information

Molecular Formula
C14H12Cl2O
SMILES
C1=CC(=CC=C1C(CO)C2=CC=C(C=C2)Cl)Cl
InChI
InChI=1S/C14H12Cl2O/c15-12-5-1-10(2-6-12)14(9-17)11-3-7-13(16)8-4-11/h1-8,14,17H,9H2
InChIKey
ZVIDYKRNLNAXFT-UHFFFAOYSA-N
Compound name
2,2-bis(4-chlorophenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

176
Patents

266.02652 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.033796 154.6
[M+Na]+ 289.015738 163.7
[M-H]- 265.019244 159.4
[M+NH4]+ 284.060343 171.9
[M+K]+ 304.989678 156.7
[M+H-H2O]+ 249.023780 149.5
[M+HCOO]- 311.024721 167.1
[M+CH3COO]- 325.040371 192.9
[M+Na-2H]- 287.001186 158.4
[M]+ 266.02597142 157.0
[M]- 266.02706858 157.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe