CID 95013

P-sulfamoylphenylphosphonic acid

Structural Information

Molecular Formula
C6H8NO5PS
SMILES
C1=CC(=CC=C1P(=O)(O)O)S(=O)(=O)N
InChI
InChI=1S/C6H8NO5PS/c7-14(11,12)6-3-1-5(2-4-6)13(8,9)10/h1-4H,(H2,7,11,12)(H2,8,9,10)
InChIKey
KYCZQSQYGCJAPN-UHFFFAOYSA-N
Compound name
(4-sulfamoylphenyl)phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.98608 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.99336 144.5
[M+Na]+ 259.97530 152.3
[M-H]- 235.97880 144.3
[M+NH4]+ 255.01990 160.9
[M+K]+ 275.94924 149.4
[M+H-H2O]+ 219.98334 136.9
[M+HCOO]- 281.98428 165.9
[M+CH3COO]- 295.99993 182.3
[M+Na-2H]- 257.96075 147.7
[M]+ 236.98553 145.1
[M]- 236.98663 145.1
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.