CID 7576

4,4'-dichlorodiphenylmethane

Structural Information

Molecular Formula
C13H10Cl2
SMILES
C1=CC(=CC=C1CC2=CC=C(C=C2)Cl)Cl
InChI
InChI=1S/C13H10Cl2/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h1-8H,9H2
InChIKey
LQGSWLJZAKVBJH-UHFFFAOYSA-N
Compound name
1-chloro-4-[(4-chlorophenyl)methyl]benzene
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

3
References

514
Patents

236.01596 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.02324 147.4
[M+Na]+ 259.00518 157.6
[M-H]- 235.00868 153.4
[M+NH4]+ 254.04978 166.6
[M+K]+ 274.97912 150.7
[M+H-H2O]+ 219.01322 142.0
[M+HCOO]- 281.01416 162.3
[M+CH3COO]- 295.02981 160.6
[M+Na-2H]- 256.99063 153.3
[M]+ 236.01541 150.2
[M]- 236.01651 150.2
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