CID 145915627

2402828-44-6

Structural Information

Molecular Formula
C9H16ClNO5S
SMILES
CC(C)(C)OC(=O)N(CCCS(=O)(=O)Cl)C=O
InChI
InChI=1S/C9H16ClNO5S/c1-9(2,3)16-8(13)11(7-12)5-4-6-17(10,14)15/h7H,4-6H2,1-3H3
InChIKey
JCGDARYEUTUBEI-UHFFFAOYSA-N
Compound name
tert-butyl N-(3-chlorosulfonylpropyl)-N-formylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.04376 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.05104 158.7
[M+Na]+ 308.03298 165.7
[M-H]- 284.03648 160.8
[M+NH4]+ 303.07758 176.2
[M+K]+ 324.00692 164.2
[M+H-H2O]+ 268.04102 154.6
[M+HCOO]- 330.04196 171.2
[M+CH3COO]- 344.05761 198.0
[M+Na-2H]- 306.01843 161.7
[M]+ 285.04321 167.9
[M]- 285.04431 167.9
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.