CID 393683

Nsc696059

Structural Information

Molecular Formula
C14H14ClNO4S
SMILES
CC1=C(OC(=C1S(=O)(=O)C2=CC=C(C=C2)Cl)NC(=O)C)C
InChI
InChI=1S/C14H14ClNO4S/c1-8-9(2)20-14(16-10(3)17)13(8)21(18,19)12-6-4-11(15)5-7-12/h4-7H,1-3H3,(H,16,17)
InChIKey
XDFYONPRVNMXGI-UHFFFAOYSA-N
Compound name
N-[3-(4-chlorophenyl)sulfonyl-4,5-dimethylfuran-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.0332 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.04048 172.3
[M+Na]+ 350.02242 183.0
[M-H]- 326.02592 181.4
[M+NH4]+ 345.06702 188.7
[M+K]+ 365.99636 179.1
[M+H-H2O]+ 310.03046 167.4
[M+HCOO]- 372.03140 186.7
[M+CH3COO]- 386.04705 205.6
[M+Na-2H]- 348.00787 173.2
[M]+ 327.03265 180.4
[M]- 327.03375 180.4
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.