CID 3071319

Carbamic acid, ((diethylamino)sulfonyl)-, 2-chloroethyl ester

Structural Information

Molecular Formula
C7H15ClN2O4S
SMILES
CCN(CC)S(=O)(=O)NC(=O)OCCCl
InChI
InChI=1S/C7H15ClN2O4S/c1-3-10(4-2)15(12,13)9-7(11)14-6-5-8/h3-6H2,1-2H3,(H,9,11)
InChIKey
YGGQSDRSXJQXPL-UHFFFAOYSA-N
Compound name
2-chloroethyl N-(diethylsulfamoyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.0441 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.05138 155.9
[M+Na]+ 281.03332 162.3
[M+NH4]+ 276.07792 161.2
[M+K]+ 297.00726 157.5
[M-H]- 257.03682 153.5
[M+Na-2H]- 279.01877 156.8
[M]+ 258.04355 156.3
[M]- 258.04465 156.3
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.