CID 64197967

2-(tert-butoxy)ethane-1-sulfonyl chloride

Structural Information

Molecular Formula
C6H13ClO3S
SMILES
CC(C)(C)OCCS(=O)(=O)Cl
InChI
InChI=1S/C6H13ClO3S/c1-6(2,3)10-4-5-11(7,8)9/h4-5H2,1-3H3
InChIKey
AUYXSYAUWICEHP-UHFFFAOYSA-N
Compound name
2-[(2-methylpropan-2-yl)oxy]ethanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.02739 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.03467 139.1
[M+Na]+ 223.01661 148.1
[M-H]- 199.02011 140.2
[M+NH4]+ 218.06121 160.0
[M+K]+ 238.99055 145.7
[M+H-H2O]+ 183.02465 136.1
[M+HCOO]- 245.02559 151.0
[M+CH3COO]- 259.04124 179.2
[M+Na-2H]- 221.00206 143.9
[M]+ 200.02684 145.9
[M]- 200.02794 145.9
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.