CID 53439191

269747-25-3

Structural Information

Molecular Formula
C11H14ClNO4S
SMILES
CC(C)(C)OC(=O)NC1=CC=C(C=C1)S(=O)(=O)Cl
InChI
InChI=1S/C11H14ClNO4S/c1-11(2,3)17-10(14)13-8-4-6-9(7-5-8)18(12,15)16/h4-7H,1-3H3,(H,13,14)
InChIKey
XUKQJXYLFMTDNU-UHFFFAOYSA-N
Compound name
tert-butyl N-(4-chlorosulfonylphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

291.0332 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.04048 164.7
[M+Na]+ 314.02242 174.5
[M+NH4]+ 309.06702 170.8
[M+K]+ 329.99636 168.7
[M-H]- 290.02592 164.1
[M+Na-2H]- 312.00787 168.8
[M]+ 291.03265 166.5
[M]- 291.03375 166.5
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