CID 27687

16110-89-7

Structural Information

Molecular Formula
C9H6Cl2N4O3S
SMILES
C1=CC(=CC=C1NC2=NC(=NC(=N2)Cl)Cl)S(=O)(=O)O
InChI
InChI=1S/C9H6Cl2N4O3S/c10-7-13-8(11)15-9(14-7)12-5-1-3-6(4-2-5)19(16,17)18/h1-4H,(H,16,17,18)(H,12,13,14,15)
InChIKey
JDBGDMZILOWAHV-UHFFFAOYSA-N
Compound name
4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

249
Patents

319.95377 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.96105 161.1
[M+Na]+ 342.94299 172.5
[M-H]- 318.94649 163.4
[M+NH4]+ 337.98759 172.5
[M+K]+ 358.91693 165.9
[M+H-H2O]+ 302.95103 154.3
[M+HCOO]- 364.95197 167.2
[M+CH3COO]- 378.96762 198.3
[M+Na-2H]- 340.92844 166.6
[M]+ 319.95322 165.6
[M]- 319.95432 165.6
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

patents stripe