CID 16327

Dichlorodiphenylmethane

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

1
References

2187
Patents

236.01596 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.02324 148.7
[M+Na]+ 259.00518 157.5
[M-H]- 235.00868 154.4
[M+NH4]+ 254.04978 167.3
[M+K]+ 274.97912 150.8
[M+H-H2O]+ 219.01322 143.2
[M+HCOO]- 281.01416 162.0
[M+CH3COO]- 295.02981 188.1
[M+Na-2H]- 256.99063 156.4
[M]+ 236.01541 150.3
[M]- 236.01651 150.3
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.