CID 75524953

Methyl n-{2-[5-(chlorosulfonyl)thiophen-2-yl]ethyl}carbamate

Structural Information

Molecular Formula
C8H10ClNO4S2
SMILES
COC(=O)NCCC1=CC=C(S1)S(=O)(=O)Cl
InChI
InChI=1S/C8H10ClNO4S2/c1-14-8(11)10-5-4-6-2-3-7(15-6)16(9,12)13/h2-3H,4-5H2,1H3,(H,10,11)
InChIKey
TWRZHJIFWONYRV-UHFFFAOYSA-N
Compound name
methyl N-[2-(5-chlorosulfonylthiophen-2-yl)ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.97397 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.981246 159.8
[M+Na]+ 305.963188 168.6
[M-H]- 281.966694 163.9
[M+NH4]+ 301.007793 178.6
[M+K]+ 321.937128 163.9
[M+H-H2O]+ 265.971230 155.5
[M+HCOO]- 327.972171 169.6
[M+CH3COO]- 341.987821 192.1
[M+Na-2H]- 303.948636 160.4
[M]+ 282.97342142 166.6
[M]- 282.97451858 166.6
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.