CID 17750969

Tert-butyl n-[2-(chlorosulfonyl)ethyl]carbamate

Structural Information

Molecular Formula
C7H14ClNO4S
SMILES
CC(C)(C)OC(=O)NCCS(=O)(=O)Cl
InChI
InChI=1S/C7H14ClNO4S/c1-7(2,3)13-6(10)9-4-5-14(8,11)12/h4-5H2,1-3H3,(H,9,10)
InChIKey
PCEAZBVTZGTIEC-UHFFFAOYSA-N
Compound name
tert-butyl N-(2-chlorosulfonylethyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

91
Patents

243.0332 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.04048 149.6
[M+Na]+ 266.02242 157.2
[M-H]- 242.02592 150.5
[M+NH4]+ 261.06702 168.3
[M+K]+ 281.99636 154.8
[M+H-H2O]+ 226.03046 146.0
[M+HCOO]- 288.03140 161.6
[M+CH3COO]- 302.04705 187.5
[M+Na-2H]- 264.00787 153.6
[M]+ 243.03265 155.9
[M]- 243.03375 155.9
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

patents stripe