CID 103428

Benzyl dichlorobenzene

Structural Information

Molecular Formula
C13H10Cl2
SMILES
C1=CC=C(C=C1)CC2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C13H10Cl2/c14-12-7-6-11(13(15)9-12)8-10-4-2-1-3-5-10/h1-7,9H,8H2
InChIKey
LQUWZOKGGJISJF-UHFFFAOYSA-N
Compound name
1-benzyl-2,4-dichlorobenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

68
Patents

236.01596 Da
Monoisotopic Mass

5.6
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

No literature data available for this compound.

Patent stripe

patents stripe