CID 71312480

Metolachlor cga 368208

Structural Information

Molecular Formula
C11H15NO4S
SMILES
CCC1=CC=CC(=C1NC(=O)CS(=O)(=O)O)C
InChI
InChI=1S/C11H15NO4S/c1-3-9-6-4-5-8(2)11(9)12-10(13)7-17(14,15)16/h4-6H,3,7H2,1-2H3,(H,12,13)(H,14,15,16)
InChIKey
QPVPJECIHVSBLZ-UHFFFAOYSA-N
Compound name
2-(2-ethyl-6-methylanilino)-2-oxoethanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

257.07217 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.07945 157.0
[M+Na]+ 280.06139 166.3
[M+NH4]+ 275.10599 162.8
[M+K]+ 296.03533 160.7
[M-H]- 256.06489 156.6
[M+Na-2H]- 278.04684 160.4
[M]+ 257.07162 158.4
[M]- 257.07272 158.4
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.