CID 13089860

1708-72-1

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]+ 139.034276 124.9
[M+Na]+ 161.016218 133.0
[M-H]- 137.019724 125.7
[M+NH4]+ 156.060823 148.3
[M+K]+ 176.990158 130.6
[M+H-H2O]+ 121.024260 121.7
[M+HCOO]- 183.025201 138.0
[M+CH3COO]- 197.040851 173.0
[M+Na-2H]- 159.001666 127.4
[M]+ 138.02645142 128.9
[M]- 138.02754858 128.9
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