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]+ 278.024826 155.1
[M+Na]+ 300.006768 163.8
[M-H]- 276.010274 159.1
[M+NH4]+ 295.051373 172.2
[M+K]+ 315.980708 160.2
[M+H-H2O]+ 260.014810 150.5
[M+HCOO]- 322.015751 167.7
[M+CH3COO]- 336.031401 195.6
[M+Na-2H]- 297.992216 156.2
[M]+ 277.01700142 160.3
[M]- 277.01809858 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.