CID 3088078

Brn 5558257

Structural Information

Molecular Formula
C7H13BrCl2N2O4S
SMILES
C(CCl)N(CCCl)S(=O)(=O)NC(=O)OCCBr
InChI
InChI=1S/C7H13BrCl2N2O4S/c8-1-6-16-7(13)11-17(14,15)12(4-2-9)5-3-10/h1-6H2,(H,11,13)
InChIKey
JEJOBLUCIOLMBR-UHFFFAOYSA-N
Compound name
2-bromoethyl N-[bis(2-chloroethyl)sulfamoyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.91565 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.92293 157.5
[M+Na]+ 392.90487 168.0
[M-H]- 368.90837 161.5
[M+NH4]+ 387.94947 175.4
[M+K]+ 408.87881 154.4
[M+H-H2O]+ 352.91291 158.1
[M+HCOO]- 414.91385 165.7
[M+CH3COO]- 428.92950 209.0
[M+Na-2H]- 390.89032 161.9
[M]+ 369.91510 183.0
[M]- 369.91620 183.0
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.