CID 104253

52610-09-0

Structural Information

Molecular Formula
C11H10Cl2N4O6S2
SMILES
C1=CC(=CC=C1NC2=NC(=NC(=N2)Cl)Cl)S(=O)(=O)CCOS(=O)(=O)O
InChI
InChI=1S/C11H10Cl2N4O6S2/c12-9-15-10(13)17-11(16-9)14-7-1-3-8(4-2-7)24(18,19)6-5-23-25(20,21)22/h1-4H,5-6H2,(H,20,21,22)(H,14,15,16,17)
InChIKey
KARQWNJBJZMXNE-UHFFFAOYSA-N
Compound name
2-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]phenyl]sulfonylethyl hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

427.9419 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.94918 192.2
[M+Na]+ 450.93112 203.2
[M+NH4]+ 445.97572 195.6
[M+K]+ 466.90506 196.0
[M-H]- 426.93462 190.9
[M+Na-2H]- 448.91657 196.5
[M]+ 427.94135 194.5
[M]- 427.94245 194.5
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