CID 75525550

Methyl 2,6-difluoro-3-(methylsulfamoyl)benzoate

Structural Information

Molecular Formula
C9H9F2NO4S
SMILES
CNS(=O)(=O)C1=C(C(=C(C=C1)F)C(=O)OC)F
InChI
InChI=1S/C9H9F2NO4S/c1-12-17(14,15)6-4-3-5(10)7(8(6)11)9(13)16-2/h3-4,12H,1-2H3
InChIKey
FNHVDYHOFPPUSB-UHFFFAOYSA-N
Compound name
methyl 2,6-difluoro-3-(methylsulfamoyl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.02203 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.02931 149.3
[M+Na]+ 288.01125 159.0
[M-H]- 264.01475 151.2
[M+NH4]+ 283.05585 166.4
[M+K]+ 303.98519 156.2
[M+H-H2O]+ 248.01929 141.7
[M+HCOO]- 310.02023 166.1
[M+CH3COO]- 324.03588 195.3
[M+Na-2H]- 285.99670 151.5
[M]+ 265.02148 151.8
[M]- 265.02258 151.8
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.