CID 81623

Chloromethyl phenyl sulfide

Structural Information

Molecular Formula
C7H7ClS
SMILES
C1=CC=C(C=C1)SCCl
InChI
InChI=1S/C7H7ClS/c8-6-9-7-4-2-1-3-5-7/h1-5H,6H2
InChIKey
LLSMWLJPWFSMCP-UHFFFAOYSA-N
Compound name
chloromethylsulfanylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

540
Patents

157.9957 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.00298 127.9
[M+Na]+ 180.98492 142.5
[M+NH4]+ 176.02952 139.1
[M+K]+ 196.95886 132.1
[M-H]- 156.98842 131.7
[M+Na-2H]- 178.97037 136.4
[M]+ 157.99515 132.0
[M]- 157.99625 132.0
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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