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

2050
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

literature stripe

Patent stripe

patents stripe