CID 3067694

Brn 5126553

Structural Information

Molecular Formula
C13H18Cl2N2O4S
SMILES
CCOC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(CCCl)CCCl
InChI
InChI=1S/C13H18Cl2N2O4S/c1-2-21-13(18)16-11-3-5-12(6-4-11)22(19,20)17(9-7-14)10-8-15/h3-6H,2,7-10H2,1H3,(H,16,18)
InChIKey
XDELFOYIOBDTFW-UHFFFAOYSA-N
Compound name
ethyl N-[4-[bis(2-chloroethyl)sulfamoyl]phenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.03644 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.04372 178.4
[M+Na]+ 391.02566 184.7
[M-H]- 367.02916 182.9
[M+NH4]+ 386.07026 192.7
[M+K]+ 406.99960 180.3
[M+H-H2O]+ 351.03370 173.1
[M+HCOO]- 413.03464 188.3
[M+CH3COO]- 427.05029 214.8
[M+Na-2H]- 389.01111 180.1
[M]+ 368.03589 187.3
[M]- 368.03699 187.3
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.