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

7
Patents

250.0316 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.038876 150.9
[M+Na]+ 273.020818 162.6
[M-H]- 249.024324 157.6
[M+NH4]+ 268.065423 170.3
[M+K]+ 288.994758 155.6
[M+H-H2O]+ 233.028860 145.9
[M+HCOO]- 295.029801 165.6
[M+CH3COO]- 309.045451 164.5
[M+Na-2H]- 271.006266 154.9
[M]+ 250.03105142 154.9
[M]- 250.03214858 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