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 153.1
[M+Na]+ 281.03332 159.4
[M-H]- 257.03682 154.9
[M+NH4]+ 276.07792 171.2
[M+K]+ 297.00726 157.8
[M+H-H2O]+ 241.04136 148.2
[M+HCOO]- 303.04230 168.0
[M+CH3COO]- 317.05795 196.2
[M+Na-2H]- 279.01877 155.8
[M]+ 258.04355 160.4
[M]- 258.04465 160.4
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.