CID 43231

Clorsulon

Structural Information

Molecular Formula
C8H8Cl3N3O4S2
SMILES
C1=C(C(=CC(=C1N)S(=O)(=O)N)S(=O)(=O)N)C(=C(Cl)Cl)Cl
InChI
InChI=1S/C8H8Cl3N3O4S2/c9-7(8(10)11)3-1-4(12)6(20(14,17)18)2-5(3)19(13,15)16/h1-2H,12H2,(H2,13,15,16)(H2,14,17,18)
InChIKey
QOVTVIYTBRHADL-UHFFFAOYSA-N
Compound name
4-amino-6-(1,2,2-trichloroethenyl)benzene-1,3-disulfonamide
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

92
References

4492
Patents

378.9022 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.90948 171.7
[M+Na]+ 401.89142 179.1
[M-H]- 377.89492 173.3
[M+NH4]+ 396.93602 183.8
[M+K]+ 417.86536 171.8
[M+H-H2O]+ 361.89946 169.6
[M+HCOO]- 423.90040 168.8
[M+CH3COO]- 437.91605 212.7
[M+Na-2H]- 399.87687 171.0
[M]+ 378.90165 172.4
[M]- 378.90275 172.4
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