CID 2843192

Methyl 2-chloro-5-(diethylsulfamoyl)benzoate

Structural Information

Molecular Formula
C12H16ClNO4S
SMILES
CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)OC
InChI
InChI=1S/C12H16ClNO4S/c1-4-14(5-2)19(16,17)9-6-7-11(13)10(8-9)12(15)18-3/h6-8H,4-5H2,1-3H3
InChIKey
YIYAKNSJAKSAPW-UHFFFAOYSA-N
Compound name
methyl 2-chloro-5-(diethylsulfamoyl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

305.04886 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.05614 163.5
[M+Na]+ 328.03808 171.8
[M-H]- 304.04158 169.1
[M+NH4]+ 323.08268 180.4
[M+K]+ 344.01202 168.9
[M+H-H2O]+ 288.04612 158.1
[M+HCOO]- 350.04706 177.6
[M+CH3COO]- 364.06271 204.6
[M+Na-2H]- 326.02353 165.1
[M]+ 305.04831 172.3
[M]- 305.04941 172.3
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.