CID 16212221

Propachlor esa

Structural Information

Molecular Formula
C11H15NO4S
SMILES
CC(C)N(C1=CC=CC=C1)C(=O)CS(=O)(=O)O
InChI
InChI=1S/C11H15NO4S/c1-9(2)12(10-6-4-3-5-7-10)11(13)8-17(14,15)16/h3-7,9H,8H2,1-2H3,(H,14,15,16)
InChIKey
BFSZJLBDHMMCAH-UHFFFAOYSA-N
Compound name
2-oxo-2-(N-propan-2-ylanilino)ethanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

0
Patents

257.07217 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.07945 155.8
[M+Na]+ 280.06139 164.1
[M+NH4]+ 275.10599 161.6
[M+K]+ 296.03533 159.5
[M-H]- 256.06489 155.3
[M+Na-2H]- 278.04684 159.7
[M]+ 257.07162 156.9
[M]- 257.07272 156.9
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

No patent data available for this compound.