CID 7411

Benzal chloride

Structural Information

Molecular Formula
C7H6Cl2
SMILES
C1=CC=C(C=C1)C(Cl)Cl
InChI
InChI=1S/C7H6Cl2/c8-7(9)6-4-2-1-3-5-6/h1-5,7H
InChIKey
CAHQGWAXKLQREW-UHFFFAOYSA-N
Compound name
dichloromethylbenzene
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

16
References

9519
Patents

159.98465 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.99193 127.1
[M+Na]+ 182.97387 142.5
[M+NH4]+ 178.01847 137.9
[M+K]+ 198.94781 134.2
[M-H]- 158.97737 130.3
[M+Na-2H]- 180.95932 136.2
[M]+ 159.98410 131.0
[M]- 159.98520 131.0
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