CID 7878754

Methyl 2-chloro-5-(dimethylsulfamoyl)benzoate

Structural Information

Molecular Formula
C10H12ClNO4S
SMILES
CN(C)S(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)OC
InChI
InChI=1S/C10H12ClNO4S/c1-12(2)17(14,15)7-4-5-9(11)8(6-7)10(13)16-3/h4-6H,1-3H3
InChIKey
OTRHSDALQYFFIV-UHFFFAOYSA-N
Compound name
methyl 2-chloro-5-(dimethylsulfamoyl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.01755 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.02483 154.3
[M+Na]+ 300.00677 163.5
[M-H]- 276.01027 160.3
[M+NH4]+ 295.05137 172.4
[M+K]+ 315.98071 161.1
[M+H-H2O]+ 260.01481 149.3
[M+HCOO]- 322.01575 169.1
[M+CH3COO]- 336.03140 198.7
[M+Na-2H]- 297.99222 156.9
[M]+ 277.01700 162.4
[M]- 277.01810 162.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.