CID 1502059

Chloromethyl p-tolyl sulfide

Structural Information

Molecular Formula
C8H9ClS
SMILES
CC1=CC=C(C=C1)SCCl
InChI
InChI=1S/C8H9ClS/c1-7-2-4-8(5-3-7)10-6-9/h2-5H,6H2,1H3
InChIKey
VFQYMJYUSRAJCZ-UHFFFAOYSA-N
Compound name
1-(chloromethylsulfanyl)-4-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

172.01135 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.01863 132.3
[M+Na]+ 195.00057 147.1
[M+NH4]+ 190.04517 143.3
[M+K]+ 210.97451 136.6
[M-H]- 171.00407 136.1
[M+Na-2H]- 192.98602 140.3
[M]+ 172.01080 136.5
[M]- 172.01190 136.5
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

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