CID 91729

Thifensulfuron

Structural Information

Molecular Formula
C11H11N5O6S2
SMILES
CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=C(SC=C2)C(=O)O
InChI
InChI=1S/C11H11N5O6S2/c1-5-12-9(15-11(13-5)22-2)14-10(19)16-24(20,21)6-3-4-23-7(6)8(17)18/h3-4H,1-2H3,(H,17,18)(H2,12,13,14,15,16,19)
InChIKey
LOQQVLXUKHKNIA-UHFFFAOYSA-N
Compound name
3-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

20775
Patents

373.01508 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.02236 179.1
[M+Na]+ 396.00430 186.7
[M-H]- 372.00780 181.4
[M+NH4]+ 391.04890 188.0
[M+K]+ 411.97824 182.4
[M+H-H2O]+ 356.01234 171.7
[M+HCOO]- 418.01328 189.4
[M+CH3COO]- 432.02893 211.3
[M+Na-2H]- 393.98975 180.9
[M]+ 373.01453 183.7
[M]- 373.01563 183.7
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

No patent data available for this compound.