CID 12121577

2845-66-1

Structural Information

Molecular Formula
C11H15NO4S
SMILES
CC(C)(C)OC(=O)NS(=O)(=O)C1=CC=CC=C1
InChI
InChI=1S/C11H15NO4S/c1-11(2,3)16-10(13)12-17(14,15)9-7-5-4-6-8-9/h4-8H,1-3H3,(H,12,13)
InChIKey
ACAGCLKCWRMBAK-UHFFFAOYSA-N
Compound name
tert-butyl N-(benzenesulfonyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

257.07217 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.07945 157.7
[M+Na]+ 280.06139 166.4
[M+NH4]+ 275.10599 163.6
[M+K]+ 296.03533 161.3
[M-H]- 256.06489 157.0
[M+Na-2H]- 278.04684 162.1
[M]+ 257.07162 159.0
[M]- 257.07272 159.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe