CID 13295036

S-sec-butyl chlorothioformate

Structural Information

Molecular Formula
C5H9ClOS
SMILES
CCC(C)SC(=O)Cl
InChI
InChI=1S/C5H9ClOS/c1-3-4(2)8-5(6)7/h4H,3H2,1-2H3
InChIKey
QMEKFEIJHUSKSJ-UHFFFAOYSA-N
Compound name
S-butan-2-yl chloromethanethioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
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 130.1
[M+Na]+ 174.99549 140.8
[M+NH4]+ 170.04009 139.1
[M+K]+ 190.96943 133.4
[M-H]- 150.99899 129.8
[M+Na-2H]- 172.98094 133.3
[M]+ 152.00572 132.2
[M]- 152.00682 132.2
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