CID 230561

Bis(2-chlorophenyl)methanol

Structural Information

Molecular Formula
C13H10Cl2O
SMILES
C1=CC=C(C(=C1)C(C2=CC=CC=C2Cl)O)Cl
InChI
InChI=1S/C13H10Cl2O/c14-11-7-3-1-5-9(11)13(16)10-6-2-4-8-12(10)15/h1-8,13,16H
InChIKey
YVZIETKZIJPLJM-UHFFFAOYSA-N
Compound name
bis(2-chlorophenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

252.01086 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.01814 149.9
[M+Na]+ 275.00008 159.4
[M-H]- 251.00358 154.9
[M+NH4]+ 270.04468 167.8
[M+K]+ 290.97402 152.7
[M+H-H2O]+ 235.00812 145.0
[M+HCOO]- 297.00906 162.8
[M+CH3COO]- 311.02471 162.4
[M+Na-2H]- 272.98553 154.3
[M]+ 252.01031 152.0
[M]- 252.01141 152.0
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