CID 130004405

1824475-04-8

Structural Information

Molecular Formula
C8H16ClNO4S
SMILES
CC(CS(=O)(=O)Cl)NC(=O)OC(C)(C)C
InChI
InChI=1S/C8H16ClNO4S/c1-6(5-15(9,12)13)10-7(11)14-8(2,3)4/h6H,5H2,1-4H3,(H,10,11)
InChIKey
CZNOXBWDIJWTQO-UHFFFAOYSA-N
Compound name
tert-butyl N-(1-chlorosulfonylpropan-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.04886 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.05614 153.0
[M+Na]+ 280.03808 159.9
[M-H]- 256.04158 153.8
[M+NH4]+ 275.08268 171.1
[M+K]+ 296.01202 157.8
[M+H-H2O]+ 240.04612 149.4
[M+HCOO]- 302.04706 163.8
[M+CH3COO]- 316.06271 191.4
[M+Na-2H]- 278.02353 155.6
[M]+ 257.04831 159.2
[M]- 257.04941 159.2
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.