CID 165565749

Tert-butyl n-[4-(chlorosulfonyl)butyl]carbamate

Structural Information

Molecular Formula
C9H18ClNO4S
SMILES
CC(C)(C)OC(=O)NCCCCS(=O)(=O)Cl
InChI
InChI=1S/C9H18ClNO4S/c1-9(2,3)15-8(12)11-6-4-5-7-16(10,13)14/h4-7H2,1-3H3,(H,11,12)
InChIKey
VTHGWYRQRFWQEQ-UHFFFAOYSA-N
Compound name
tert-butyl N-(4-chlorosulfonylbutyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.0645 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.07178 158.6
[M+Na]+ 294.05372 165.3
[M-H]- 270.05722 159.1
[M+NH4]+ 289.09832 176.2
[M+K]+ 310.02766 162.4
[M+H-H2O]+ 254.06176 154.6
[M+HCOO]- 316.06270 170.0
[M+CH3COO]- 330.07835 193.5
[M+Na-2H]- 292.03917 161.6
[M]+ 271.06395 165.6
[M]- 271.06505 165.6
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.