CID 4686861

2-methylpropane-2-sulfinyl chloride

Structural Information

Molecular Formula
C4H9ClOS
SMILES
CC(C)(C)S(=O)Cl
InChI
InChI=1S/C4H9ClOS/c1-4(2,3)7(5)6/h1-3H3
InChIKey
ZLJKQOWJEZSNBE-UHFFFAOYSA-N
Compound name
2-methylpropane-2-sulfinyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

579
Patents

140.00627 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.01355 123.5
[M+Na]+ 162.99549 132.6
[M-H]- 138.99899 124.8
[M+NH4]+ 158.04009 146.8
[M+K]+ 178.96943 130.6
[M+H-H2O]+ 123.00353 120.8
[M+HCOO]- 185.00447 135.8
[M+CH3COO]- 199.02012 170.6
[M+Na-2H]- 160.98094 127.1
[M]+ 140.00572 127.2
[M]- 140.00682 127.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe