CID 13089860

Isobutyl chloromethyl sulfide

Structural Information

Molecular Formula
C5H11ClS
SMILES
CC(C)CSCCl
InChI
InChI=1S/C5H11ClS/c1-5(2)3-7-4-6/h5H,3-4H2,1-2H3
InChIKey
JGQIYFQNVBEYPF-UHFFFAOYSA-N
Compound name
1-(chloromethylsulfanyl)-2-methylpropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

138.027 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.03428 126.9
[M+Na]+ 161.01622 138.4
[M+NH4]+ 156.06082 136.9
[M+K]+ 176.99016 129.8
[M-H]- 137.01972 127.7
[M+Na-2H]- 159.00167 131.0
[M]+ 138.02645 129.5
[M]- 138.02755 129.5
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