CID 12813442

1-[(chloromethyl)sulfanyl]butane

Structural Information

Molecular Formula
C5H11ClS
SMILES
CCCCSCCl
InChI
InChI=1S/C5H11ClS/c1-2-3-4-7-5-6/h2-5H2,1H3
InChIKey
VBAMXJBAGCVBGG-UHFFFAOYSA-N
Compound name
1-(chloromethylsulfanyl)butane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

89
Patents

138.027 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.034276 124.8
[M+Na]+ 161.016218 133.1
[M-H]- 137.019724 125.5
[M+NH4]+ 156.060823 148.2
[M+K]+ 176.990158 130.3
[M+H-H2O]+ 121.024260 121.5
[M+HCOO]- 183.025201 138.9
[M+CH3COO]- 197.040851 172.3
[M+Na-2H]- 159.001666 128.3
[M]+ 138.02645142 129.3
[M]- 138.02754858 129.3
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