CID 64198864

3-(propan-2-yloxy)propane-1-sulfonyl chloride

Structural Information

Molecular Formula
C6H13ClO3S
SMILES
CC(C)OCCCS(=O)(=O)Cl
InChI
InChI=1S/C6H13ClO3S/c1-6(2)10-4-3-5-11(7,8)9/h6H,3-5H2,1-2H3
InChIKey
IYFFFULMJBEHFY-UHFFFAOYSA-N
Compound name
3-propan-2-yloxypropane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.02739 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.03467 142.0
[M+Na]+ 223.01661 151.5
[M+NH4]+ 218.06121 149.2
[M+K]+ 238.99055 145.1
[M-H]- 199.02011 139.8
[M+Na-2H]- 221.00206 144.0
[M]+ 200.02684 143.3
[M]- 200.02794 143.3
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

No patent data available for this compound.