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
2
Annotation Hits

0
References

217
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 166.0
[M+Na]+ 342.94299 180.3
[M+NH4]+ 337.98759 172.0
[M+K]+ 358.91693 172.7
[M-H]- 318.94649 167.0
[M+Na-2H]- 340.92844 173.2
[M]+ 319.95322 169.2
[M]- 319.95432 169.2
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