CID 10931447

Propane-2-sulfinyl chloride

Structural Information

Molecular Formula
C3H7ClOS
SMILES
CC(C)S(=O)Cl
InChI
InChI=1S/C3H7ClOS/c1-3(2)6(4)5/h3H,1-2H3
InChIKey
OQATUBOUVJHZOK-UHFFFAOYSA-N
Compound name
propane-2-sulfinyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

125.990616 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.99789 118.3
[M+Na]+ 148.97983 127.1
[M-H]- 124.98334 119.5
[M+NH4]+ 144.02444 141.9
[M+K]+ 164.95377 125.5
[M+H-H2O]+ 108.98788 115.4
[M+HCOO]- 170.98882 131.4
[M+CH3COO]- 185.00447 168.9
[M+Na-2H]- 146.96528 120.7
[M]+ 125.99007 121.7
[M]- 125.99116 121.7
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

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