CID 2414071

736948-74-6

Structural Information

Molecular Formula
C13H13NO4S
SMILES
CC(=O)C1=CC=C(C=C1)S(=O)(=O)NCC2=CC=CO2
InChI
InChI=1S/C13H13NO4S/c1-10(15)11-4-6-13(7-5-11)19(16,17)14-9-12-3-2-8-18-12/h2-8,14H,9H2,1H3
InChIKey
IXVMRHFCCUTRAI-UHFFFAOYSA-N
Compound name
4-acetyl-N-(furan-2-ylmethyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

279.05652 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.06380 161.4
[M+Na]+ 302.04574 169.4
[M-H]- 278.04924 169.4
[M+NH4]+ 297.09034 177.8
[M+K]+ 318.01968 167.2
[M+H-H2O]+ 262.05378 155.1
[M+HCOO]- 324.05472 180.9
[M+CH3COO]- 338.07037 195.8
[M+Na-2H]- 300.03119 165.1
[M]+ 279.05597 165.9
[M]- 279.05707 165.9
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

patents stripe