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

4755
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 189.8
[M+Na]+ 435.03882 196.4
[M-H]- 411.04232 196.8
[M+NH4]+ 430.08342 200.8
[M+K]+ 451.01276 192.4
[M+H-H2O]+ 395.04686 182.5
[M+HCOO]- 457.04780 203.8
[M+CH3COO]- 471.06345 221.8
[M+Na-2H]- 433.02427 191.9
[M]+ 412.04905 197.7
[M]- 412.05015 197.7
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