CID 2772274

850764-24-8

Structural Information

Molecular Formula
C11H14ClNO4S
SMILES
C1CS(=O)(=O)CC1N(CC2=CC=CO2)C(=O)CCl
InChI
InChI=1S/C11H14ClNO4S/c12-6-11(14)13(7-10-2-1-4-17-10)9-3-5-18(15,16)8-9/h1-2,4,9H,3,5-8H2
InChIKey
ODAPSTWZJXRYRS-UHFFFAOYSA-N
Compound name
2-chloro-N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.0332 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.04048 164.1
[M+Na]+ 314.02242 172.2
[M-H]- 290.02592 173.4
[M+NH4]+ 309.06702 185.3
[M+K]+ 329.99636 170.7
[M+H-H2O]+ 274.03046 160.3
[M+HCOO]- 336.03140 179.5
[M+CH3COO]- 350.04705 196.4
[M+Na-2H]- 312.00787 164.2
[M]+ 291.03265 170.1
[M]- 291.03375 170.1
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.