CID 139292176

Dimethachlor cga369873

Structural Information

Molecular Formula
C10H13NO4S
SMILES
CC1=C(C(=CC=C1)C)NC(=O)CS(=O)(=O)O
InChI
InChI=1S/C10H13NO4S/c1-7-4-3-5-8(2)10(7)11-9(12)6-16(13,14)15/h3-5H,6H2,1-2H3,(H,11,12)(H,13,14,15)
InChIKey
ZNKNVJGSYJFDHT-UHFFFAOYSA-N
Compound name
2-(2,6-dimethylanilino)-2-oxoethanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

243.05653 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.06381 150.3
[M+Na]+ 266.04575 158.2
[M-H]- 242.04925 153.1
[M+NH4]+ 261.09035 167.4
[M+K]+ 282.01969 155.2
[M+H-H2O]+ 226.05379 144.6
[M+HCOO]- 288.05473 167.4
[M+CH3COO]- 302.07038 189.1
[M+Na-2H]- 264.03120 153.2
[M]+ 243.05598 153.2
[M]- 243.05708 153.2
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.