CID 3088092

Brn 5593482

Structural Information

Molecular Formula
C11H15ClN2O4S
SMILES
CN(C1=CC=CC=C1)S(=O)(=O)N(C)C(=O)OCCCl
InChI
InChI=1S/C11H15ClN2O4S/c1-13(10-6-4-3-5-7-10)19(16,17)14(2)11(15)18-9-8-12/h3-7H,8-9H2,1-2H3
InChIKey
QSCUJUHNJJQCFD-UHFFFAOYSA-N
Compound name
2-chloroethyl N-methyl-N-[methyl(phenyl)sulfamoyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.0441 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.05138 165.5
[M+Na]+ 329.03332 174.4
[M+NH4]+ 324.07792 171.8
[M+K]+ 345.00726 168.8
[M-H]- 305.03682 166.3
[M+Na-2H]- 327.01877 170.4
[M]+ 306.04355 167.5
[M]- 306.04465 167.5
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.