CID 3081304

Diclosulam

Structural Information

Molecular Formula
C13H10Cl2FN5O3S
SMILES
CCOC1=NC(=CC2=NC(=NN21)S(=O)(=O)NC3=C(C=CC=C3Cl)Cl)F
InChI
InChI=1S/C13H10Cl2FN5O3S/c1-2-24-13-17-9(16)6-10-18-12(19-21(10)13)25(22,23)20-11-7(14)4-3-5-8(11)15/h3-6,20H,2H2,1H3
InChIKey
QNXAVFXEJCPCJO-UHFFFAOYSA-N
Compound name
N-(2,6-dichlorophenyl)-5-ethoxy-7-fluoro-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

11
References

25398
Patents

404.98654 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.99382 184.2
[M+Na]+ 427.97576 198.3
[M-H]- 403.97926 187.0
[M+NH4]+ 423.02036 194.9
[M+K]+ 443.94970 191.3
[M+H-H2O]+ 387.98380 175.7
[M+HCOO]- 449.98474 190.0
[M+CH3COO]- 464.00039 194.5
[M+Na-2H]- 425.96121 187.6
[M]+ 404.98599 193.5
[M]- 404.98709 193.5
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