CID 3071317

2-bromoethyl ((phenylamino)sulfonyl)carbamate

Structural Information

Molecular Formula
C9H11BrN2O4S
SMILES
C1=CC=C(C=C1)NS(=O)(=O)NC(=O)OCCBr
InChI
InChI=1S/C9H11BrN2O4S/c10-6-7-16-9(13)12-17(14,15)11-8-4-2-1-3-5-8/h1-5,11H,6-7H2,(H,12,13)
InChIKey
CCFVBDBSGMAGGS-UHFFFAOYSA-N
Compound name
2-bromoethyl N-(phenylsulfamoyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.96228 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.96956 151.2
[M+Na]+ 344.95150 160.4
[M-H]- 320.95500 156.9
[M+NH4]+ 339.99610 168.5
[M+K]+ 360.92544 148.6
[M+H-H2O]+ 304.95954 149.4
[M+HCOO]- 366.96048 168.8
[M+CH3COO]- 380.97613 199.9
[M+Na-2H]- 342.93695 158.6
[M]+ 321.96173 172.0
[M]- 321.96283 172.0
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

No patent data available for this compound.