CID 95094

4-benzyl-2-chlorophenol

Structural Information

Molecular Formula
C13H11ClO
SMILES
C1=CC=C(C=C1)CC2=CC(=C(C=C2)O)Cl
InChI
InChI=1S/C13H11ClO/c14-12-9-11(6-7-13(12)15)8-10-4-2-1-3-5-10/h1-7,9,15H,8H2
InChIKey
SBMDBLZQVGUFAI-UHFFFAOYSA-N
Compound name
4-benzyl-2-chlorophenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

649
Patents

218.04984 Da
Monoisotopic Mass

4.1
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

literature stripe

Patent stripe

patents stripe