CID 42062

1-chloro-2-(chlorophenylmethyl)benzene

Structural Information

Molecular Formula
C13H10Cl2
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2Cl)Cl
InChI
InChI=1S/C13H10Cl2/c14-12-9-5-4-8-11(12)13(15)10-6-2-1-3-7-10/h1-9,13H
InChIKey
YMXAYMSJCVGYEM-UHFFFAOYSA-N
Compound name
1-chloro-2-[chloro(phenyl)methyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

164
Patents

236.01596 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.02324 147.3
[M+Na]+ 259.00518 156.3
[M-H]- 235.00868 153.1
[M+NH4]+ 254.04978 166.1
[M+K]+ 274.97912 149.8
[M+H-H2O]+ 219.01322 141.9
[M+HCOO]- 281.01416 161.3
[M+CH3COO]- 295.02981 160.1
[M+Na-2H]- 256.99063 152.8
[M]+ 236.01541 149.3
[M]- 236.01651 149.3
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

No patent data available for this compound.