CID 23610

7205-90-5

Structural Information

Molecular Formula
C7H6Cl2S
SMILES
C1=CC(=CC=C1SCCl)Cl
InChI
InChI=1S/C7H6Cl2S/c8-5-10-7-3-1-6(9)2-4-7/h1-4H,5H2
InChIKey
XPJUCMIJGVAEGF-UHFFFAOYSA-N
Compound name
1-chloro-4-(chloromethylsulfanyl)benzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

147
Patents

191.95673 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.96401 131.4
[M+Na]+ 214.94595 141.8
[M-H]- 190.94945 135.2
[M+NH4]+ 209.99055 153.1
[M+K]+ 230.91989 136.4
[M+H-H2O]+ 174.95399 128.3
[M+HCOO]- 236.95493 141.7
[M+CH3COO]- 250.97058 179.2
[M+Na-2H]- 212.93140 135.5
[M]+ 191.95618 135.8
[M]- 191.95728 135.8
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.