CID 611894

Methyl n-[4-(chlorosulfonyl)phenyl]carbamate

Structural Information

Molecular Formula
C8H8ClNO4S
SMILES
COC(=O)NC1=CC=C(C=C1)S(=O)(=O)Cl
InChI
InChI=1S/C8H8ClNO4S/c1-14-8(11)10-6-2-4-7(5-3-6)15(9,12)13/h2-5H,1H3,(H,10,11)
InChIKey
PXQWDWGLZDPBET-UHFFFAOYSA-N
Compound name
methyl N-(4-chlorosulfonylphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

248.98625 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.993526 147.2
[M+Na]+ 271.975468 156.4
[M-H]- 247.978974 151.7
[M+NH4]+ 267.020073 165.6
[M+K]+ 287.949408 152.9
[M+H-H2O]+ 231.983510 142.6
[M+HCOO]- 293.984451 162.2
[M+CH3COO]- 308.000101 187.4
[M+Na-2H]- 269.960916 151.9
[M]+ 248.98570142 152.8
[M]- 248.98679858 152.8
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