CID 53439125

Tert-butyl n-[3-(chlorosulfonyl)phenyl]carbamate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

291.0332 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.04048 160.9
[M+Na]+ 314.02242 169.2
[M-H]- 290.02592 165.2
[M+NH4]+ 309.06702 177.8
[M+K]+ 329.99636 165.6
[M+H-H2O]+ 274.03046 156.2
[M+HCOO]- 336.03140 173.4
[M+CH3COO]- 350.04705 196.2
[M+Na-2H]- 312.00787 165.3
[M]+ 291.03265 167.0
[M]- 291.03375 167.0
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