CID 1392400

(3'-chloro-[1,1'-biphenyl]-3-yl)methanol

Structural Information

Molecular Formula
C13H11ClO
SMILES
C1=CC(=CC(=C1)C2=CC(=CC=C2)Cl)CO
InChI
InChI=1S/C13H11ClO/c14-13-6-2-5-12(8-13)11-4-1-3-10(7-11)9-15/h1-8,15H,9H2
InChIKey
ZCFMILDJVAAINR-UHFFFAOYSA-N
Compound name
[3-(3-chlorophenyl)phenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

218.04984 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.05712 144.6
[M+Na]+ 241.03906 154.0
[M-H]- 217.04256 150.2
[M+NH4]+ 236.08366 163.5
[M+K]+ 257.01300 148.1
[M+H-H2O]+ 201.04710 138.9
[M+HCOO]- 263.04804 163.5
[M+CH3COO]- 277.06369 184.5
[M+Na-2H]- 239.02451 150.9
[M]+ 218.04929 145.9
[M]- 218.05039 145.9
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