CID 2555956

4-chloro-3-[(prop-2-en-1-yl)sulfamoyl]benzoic acid

Structural Information

Molecular Formula
C10H10ClNO4S
SMILES
C=CCNS(=O)(=O)C1=C(C=CC(=C1)C(=O)O)Cl
InChI
InChI=1S/C10H10ClNO4S/c1-2-5-12-17(15,16)9-6-7(10(13)14)3-4-8(9)11/h2-4,6,12H,1,5H2,(H,13,14)
InChIKey
UBUFAHXEAXHNTE-UHFFFAOYSA-N
Compound name
4-chloro-3-(prop-2-enylsulfamoyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

275.0019 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.00918 154.5
[M+Na]+ 297.99112 163.2
[M-H]- 273.99462 157.4
[M+NH4]+ 293.03572 171.1
[M+K]+ 313.96506 157.8
[M+H-H2O]+ 257.99916 150.0
[M+HCOO]- 320.00010 167.4
[M+CH3COO]- 334.01575 192.7
[M+Na-2H]- 295.97657 157.2
[M]+ 275.00135 158.7
[M]- 275.00245 158.7
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