CID 64217247

3-ethoxy-2-methylpropane-1-sulfonyl chloride

Structural Information

Molecular Formula
C6H13ClO3S
SMILES
CCOCC(C)CS(=O)(=O)Cl
InChI
InChI=1S/C6H13ClO3S/c1-3-10-4-6(2)5-11(7,8)9/h6H,3-5H2,1-2H3
InChIKey
PJWJFFVARYEUPD-UHFFFAOYSA-N
Compound name
3-ethoxy-2-methylpropane-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 138.1
[M+Na]+ 223.01661 146.4
[M-H]- 199.02011 139.0
[M+NH4]+ 218.06121 158.9
[M+K]+ 238.99055 144.1
[M+H-H2O]+ 183.02465 134.8
[M+HCOO]- 245.02559 150.6
[M+CH3COO]- 259.04124 180.3
[M+Na-2H]- 221.00206 141.0
[M]+ 200.02684 145.0
[M]- 200.02794 145.0
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.