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

11665
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

literature stripe

Patent stripe

patents stripe