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
6
Annotation Hits

16
References

12227
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 126.4
[M+Na]+ 182.97387 135.5
[M-H]- 158.97737 129.3
[M+NH4]+ 178.01847 148.3
[M+K]+ 198.94781 131.1
[M+H-H2O]+ 142.98191 122.9
[M+HCOO]- 204.98285 140.9
[M+CH3COO]- 218.99850 175.2
[M+Na-2H]- 180.95932 133.3
[M]+ 159.98410 127.9
[M]- 159.98520 127.9
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

No patent data available for this compound.