CID 16921

2374-89-2

Structural Information

Molecular Formula
C10H12ClNO4S
SMILES
CC(C)OC(=O)C1=C(C=CC=C1Cl)S(=O)(=O)N
InChI
InChI=1S/C10H12ClNO4S/c1-6(2)16-10(13)9-7(11)4-3-5-8(9)17(12,14)15/h3-6H,1-2H3,(H2,12,14,15)
InChIKey
UCUUOTCLCHPTTJ-UHFFFAOYSA-N
Compound name
propan-2-yl 2-chloro-6-sulfamoylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.01755 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.02483 158.5
[M+Na]+ 300.00677 168.6
[M+NH4]+ 295.05137 164.7
[M+K]+ 315.98071 163.1
[M-H]- 276.01027 158.2
[M+Na-2H]- 297.99222 162.0
[M]+ 277.01700 160.3
[M]- 277.01810 160.3
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.