CID 86453

Cloransulam-methyl

Structural Information

Molecular Formula
C15H13ClFN5O5S
SMILES
CCOC1=NC(=CC2=NC(=NN21)S(=O)(=O)NC3=C(C=CC=C3Cl)C(=O)OC)F
InChI
InChI=1S/C15H13ClFN5O5S/c1-3-27-15-18-10(17)7-11-19-14(20-22(11)15)28(24,25)21-12-8(13(23)26-2)5-4-6-9(12)16/h4-7,21H,3H2,1-2H3
InChIKey
BIKACRYIQSLICJ-UHFFFAOYSA-N
Compound name
methyl 3-chloro-2-[(5-ethoxy-7-fluoro-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)sulfonylamino]benzoate
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

10
References

18211
Patents

429.031 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.038276 192.1
[M+Na]+ 452.020218 204.5
[M-H]- 428.023724 195.4
[M+NH4]+ 447.064823 200.9
[M+K]+ 467.994158 199.1
[M+H-H2O]+ 412.028260 183.2
[M+HCOO]- 474.029201 202.0
[M+CH3COO]- 488.044851 222.9
[M+Na-2H]- 450.005666 195.2
[M]+ 429.03045142 202.6
[M]- 429.03154858 202.6
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