CID 21015509

4,4'-dichloro-2,2'-dimethyl-1,1'-biphenyl

Structural Information

Molecular Formula
C14H12Cl2
SMILES
CC1=C(C=CC(=C1)Cl)C2=C(C=C(C=C2)Cl)C
InChI
InChI=1S/C14H12Cl2/c1-9-7-11(15)3-5-13(9)14-6-4-12(16)8-10(14)2/h3-8H,1-2H3
InChIKey
UFUPYRKZPRZHBJ-UHFFFAOYSA-N
Compound name
4-chloro-1-(4-chloro-2-methylphenyl)-2-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

250.0316 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.03888 150.9
[M+Na]+ 273.02082 162.6
[M-H]- 249.02432 157.6
[M+NH4]+ 268.06542 170.3
[M+K]+ 288.99476 155.6
[M+H-H2O]+ 233.02886 145.9
[M+HCOO]- 295.02980 165.6
[M+CH3COO]- 309.04545 164.5
[M+Na-2H]- 271.00627 154.9
[M]+ 250.03105 154.9
[M]- 250.03215 154.9
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

patents stripe