CID 12923188

Fenasulam

Structural Information

Molecular Formula
C17H17ClN2O6S
SMILES
CC1=C(C=CC(=C1)Cl)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC(=O)OC
InChI
InChI=1S/C17H17ClN2O6S/c1-11-9-12(18)3-8-15(11)26-10-16(21)19-13-4-6-14(7-5-13)27(23,24)20-17(22)25-2/h3-9H,10H2,1-2H3,(H,19,21)(H,20,22)
InChIKey
LFDDUUFFHPNIPZ-UHFFFAOYSA-N
Compound name
methyl N-[4-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]phenyl]sulfonylcarbamate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

4409
Patents

412.0496 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.05688 191.1
[M+Na]+ 435.03882 201.1
[M+NH4]+ 430.08342 195.5
[M+K]+ 451.01276 195.0
[M-H]- 411.04232 192.6
[M+Na-2H]- 433.02427 196.4
[M]+ 412.04905 193.3
[M]- 412.05015 193.3
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