CID 2119859

716358-45-1

Structural Information

Molecular Formula
C10H12ClNO5S
SMILES
COCCNS(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)O
InChI
InChI=1S/C10H12ClNO5S/c1-17-5-4-12-18(15,16)7-2-3-9(11)8(6-7)10(13)14/h2-3,6,12H,4-5H2,1H3,(H,13,14)
InChIKey
BDINULDLEKHNTH-UHFFFAOYSA-N
Compound name
2-chloro-5-(2-methoxyethylsulfamoyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

293.01248 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.01976 157.8
[M+Na]+ 316.00170 166.0
[M-H]- 292.00520 160.7
[M+NH4]+ 311.04630 173.6
[M+K]+ 331.97564 161.9
[M+H-H2O]+ 276.00974 153.0
[M+HCOO]- 338.01068 170.8
[M+CH3COO]- 352.02633 195.8
[M+Na-2H]- 313.98715 160.8
[M]+ 293.01193 164.2
[M]- 293.01303 164.2
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

patents stripe