CID 241584

134-83-8

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

1
References

176
Patents

236.01596 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.02324 147.3
[M+Na]+ 259.00518 156.3
[M-H]- 235.00868 153.1
[M+NH4]+ 254.04978 166.1
[M+K]+ 274.97912 149.8
[M+H-H2O]+ 219.01322 141.9
[M+HCOO]- 281.01416 161.3
[M+CH3COO]- 295.02981 160.1
[M+Na-2H]- 256.99063 152.8
[M]+ 236.01541 149.3
[M]- 236.01651 149.3
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