CID 66624

1-chloro-2-(dichloromethyl)benzene

Structural Information

Molecular Formula
C7H5Cl3
SMILES
C1=CC=C(C(=C1)C(Cl)Cl)Cl
InChI
InChI=1S/C7H5Cl3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,7H
InChIKey
BXSVYGKOUULJCL-UHFFFAOYSA-N
Compound name
1-chloro-2-(dichloromethyl)benzene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

328
Patents

193.94568 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.95296 134.4
[M+Na]+ 216.93490 150.1
[M+NH4]+ 211.97950 144.8
[M+K]+ 232.90884 141.5
[M-H]- 192.93840 137.1
[M+Na-2H]- 214.92035 142.8
[M]+ 193.94513 138.5
[M]- 193.94623 138.5
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