CID 23230

Diformyldapsone

Structural Information

Molecular Formula
C14H12N2O4S
SMILES
C1=CC(=CC=C1NC=O)S(=O)(=O)C2=CC=C(C=C2)NC=O
InChI
InChI=1S/C14H12N2O4S/c17-9-15-11-1-5-13(6-2-11)21(19,20)14-7-3-12(4-8-14)16-10-18/h1-10H,(H,15,17)(H,16,18)
InChIKey
NOWADDNUCMOPLH-UHFFFAOYSA-N
Compound name
N-[4-(4-formamidophenyl)sulfonylphenyl]formamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

40
Patents

304.0518 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.05908 165.5
[M+Na]+ 327.04102 173.1
[M-H]- 303.04452 172.4
[M+NH4]+ 322.08562 179.8
[M+K]+ 343.01496 168.3
[M+H-H2O]+ 287.04906 157.5
[M+HCOO]- 349.05000 186.5
[M+CH3COO]- 363.06565 203.7
[M+Na-2H]- 325.02647 171.3
[M]+ 304.05125 168.2
[M]- 304.05235 168.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe