CID 131750723

Chebi:143296

Structural Information

Molecular Formula
C10H13ClN2O4S
SMILES
CCCNC(=O)NS(=O)(=O)C1=C(C=C(C=C1)Cl)O
InChI
InChI=1S/C10H13ClN2O4S/c1-2-5-12-10(15)13-18(16,17)9-4-3-7(11)6-8(9)14/h3-4,6,14H,2,5H2,1H3,(H2,12,13,15)
InChIKey
QRXRPQPWKRLTQX-UHFFFAOYSA-N
Compound name
1-(4-chloro-2-hydroxyphenyl)sulfonyl-3-propylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.02844 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.03572 160.1
[M+Na]+ 315.01766 167.6
[M-H]- 291.02116 162.8
[M+NH4]+ 310.06226 175.7
[M+K]+ 330.99160 162.8
[M+H-H2O]+ 275.02570 155.0
[M+HCOO]- 337.02664 173.7
[M+CH3COO]- 351.04229 197.5
[M+Na-2H]- 313.00311 163.2
[M]+ 292.02789 164.0
[M]- 292.02899 164.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.