CID 13295035

13889-94-6

Structural Information

Molecular Formula
C5H9ClOS
SMILES
CCCCSC(=O)Cl
InChI
InChI=1S/C5H9ClOS/c1-2-3-4-8-5(6)7/h2-4H2,1H3
InChIKey
YGLZPZAKCIKQKR-UHFFFAOYSA-N
Compound name
S-butyl chloromethanethioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

152.00627 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.01355 127.4
[M+Na]+ 174.99549 135.8
[M-H]- 150.99899 128.2
[M+NH4]+ 170.04009 150.1
[M+K]+ 190.96943 133.2
[M+H-H2O]+ 135.00353 124.1
[M+HCOO]- 197.00447 141.0
[M+CH3COO]- 211.02012 173.3
[M+Na-2H]- 172.98094 129.9
[M]+ 152.00572 132.0
[M]- 152.00682 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

No literature data available for this compound.

Patent stripe

patents stripe