CID 43140361

1094263-98-5

Structural Information

Molecular Formula
C10H11NO5S
SMILES
C=CCOC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)O
InChI
InChI=1S/C10H11NO5S/c1-2-5-16-9-4-3-7(17(11,14)15)6-8(9)10(12)13/h2-4,6H,1,5H2,(H,12,13)(H2,11,14,15)
InChIKey
NVYSWZQQZYSDCB-UHFFFAOYSA-N
Compound name
2-prop-2-enoxy-5-sulfamoylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.0358 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.043076 152.6
[M+Na]+ 280.025018 160.4
[M-H]- 256.028524 154.7
[M+NH4]+ 275.069623 168.5
[M+K]+ 295.998958 156.9
[M+H-H2O]+ 240.033060 146.6
[M+HCOO]- 302.034001 169.4
[M+CH3COO]- 316.049651 190.7
[M+Na-2H]- 278.010466 154.7
[M]+ 257.03525142 155.2
[M]- 257.03634858 155.2
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

No patent data available for this compound.