CID 483113

L-586,159

Structural Information

Molecular Formula
C14H11Cl2N3O7S2
SMILES
C1=CC=C(C=C1)OC(=O)C(=O)NC2=C(C(=C(C=C2S(=O)(=O)N)S(=O)(=O)N)Cl)Cl
InChI
InChI=1S/C14H11Cl2N3O7S2/c15-10-8(27(17,22)23)6-9(28(18,24)25)12(11(10)16)19-13(20)14(21)26-7-4-2-1-3-5-7/h1-6H,(H,19,20)(H2,17,22,23)(H2,18,24,25)
InChIKey
HMFLZXAIAPHHOD-UHFFFAOYSA-N
Compound name
phenyl 2-(2,3-dichloro-4,6-disulfamoylanilino)-2-oxoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

466.94156 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.94884 194.0
[M+Na]+ 489.93078 200.8
[M-H]- 465.93428 199.6
[M+NH4]+ 484.97538 202.3
[M+K]+ 505.90472 194.9
[M+H-H2O]+ 449.93882 189.0
[M+HCOO]- 511.93976 197.3
[M+CH3COO]- 525.95541 228.1
[M+Na-2H]- 487.91623 196.7
[M]+ 466.94101 199.6
[M]- 466.94211 199.6
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

No patent data available for this compound.