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]+ 283.98125 159.8
[M+Na]+ 305.96319 168.6
[M-H]- 281.96669 163.9
[M+NH4]+ 301.00779 178.6
[M+K]+ 321.93713 163.9
[M+H-H2O]+ 265.97123 155.5
[M+HCOO]- 327.97217 169.6
[M+CH3COO]- 341.98782 192.1
[M+Na-2H]- 303.94864 160.4
[M]+ 282.97342 166.6
[M]- 282.97452 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.