CID 13295037

14100-99-3

Structural Information

Molecular Formula
C5H9ClOS
SMILES
CC(C)CSC(=O)Cl
InChI
InChI=1S/C5H9ClOS/c1-4(2)3-8-5(6)7/h4H,3H2,1-2H3
InChIKey
COAWFKOHQQDMBK-UHFFFAOYSA-N
Compound name
S-(2-methylpropyl) chloromethanethioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

152.00627 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.013546 127.2
[M+Na]+ 174.995488 135.4
[M-H]- 150.998994 128.2
[M+NH4]+ 170.040093 149.9
[M+K]+ 190.969428 133.2
[M+H-H2O]+ 135.003530 124.0
[M+HCOO]- 197.004471 139.8
[M+CH3COO]- 211.020121 174.1
[M+Na-2H]- 172.980936 128.6
[M]+ 152.00572142 131.3
[M]- 152.00681858 131.3
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