CID 269606

3-chloropropyl phenyl sulfide

Structural Information

Molecular Formula
C9H11ClS
SMILES
C1=CC=C(C=C1)SCCCCl
InChI
InChI=1S/C9H11ClS/c10-7-4-8-11-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2
InChIKey
SBRLITLVSMPPFI-UHFFFAOYSA-N
Compound name
3-chloropropylsulfanylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

102
Patents

186.027 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.03428 136.8
[M+Na]+ 209.01622 151.1
[M+NH4]+ 204.06082 147.7
[M+K]+ 224.99016 140.1
[M-H]- 185.01972 140.6
[M+Na-2H]- 207.00167 144.8
[M]+ 186.02645 140.9
[M]- 186.02755 140.9
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

patents stripe