CID 3018166

71501-38-7

Structural Information

Molecular Formula
C9H10Cl2S
SMILES
C1=CC(=CC=C1CSCCCl)Cl
InChI
InChI=1S/C9H10Cl2S/c10-5-6-12-7-8-1-3-9(11)4-2-8/h1-4H,5-7H2
InChIKey
HYRQROHDRSJJOK-UHFFFAOYSA-N
Compound name
1-chloro-4-(2-chloroethylsulfanylmethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

219.98802 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.99530 144.1
[M+Na]+ 242.97724 159.1
[M+NH4]+ 238.02184 154.8
[M+K]+ 258.95118 147.7
[M-H]- 218.98074 147.6
[M+Na-2H]- 240.96269 151.6
[M]+ 219.98747 148.5
[M]- 219.98857 148.5
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

patents stripe