CID 42056

1,2-bis(p-chlorophenyl) ethanol

Structural Information

Molecular Formula
C14H12Cl2O
SMILES
C1=CC(=CC=C1CC(C2=CC=C(C=C2)Cl)O)Cl
InChI
InChI=1S/C14H12Cl2O/c15-12-5-1-10(2-6-12)9-14(17)11-3-7-13(16)8-4-11/h1-8,14,17H,9H2
InChIKey
RGMCATMRVFCULW-UHFFFAOYSA-N
Compound name
1,2-bis(4-chlorophenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

15
Patents

266.02652 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.03380 154.6
[M+Na]+ 289.01574 163.7
[M-H]- 265.01924 159.4
[M+NH4]+ 284.06034 171.9
[M+K]+ 304.98968 156.7
[M+H-H2O]+ 249.02378 149.5
[M+HCOO]- 311.02472 167.1
[M+CH3COO]- 325.04037 192.9
[M+Na-2H]- 287.00119 158.4
[M]+ 266.02597 157.0
[M]- 266.02707 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

No literature data available for this compound.

Patent stripe

patents stripe