CID 487961

(4-sulfamoylanilino) dihydrogen phosphate

Structural Information

Molecular Formula
C6H9N2O6PS
SMILES
C1=CC(=CC=C1NOP(=O)(O)O)S(=O)(=O)N
InChI
InChI=1S/C6H9N2O6PS/c7-16(12,13)6-3-1-5(2-4-6)8-14-15(9,10)11/h1-4,8H,(H2,7,12,13)(H2,9,10,11)
InChIKey
YOGPEDAASHTSBJ-UHFFFAOYSA-N
Compound name
(4-sulfamoylanilino) dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

267.99188 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.99916 149.2
[M+Na]+ 290.98110 155.5
[M-H]- 266.98460 148.6
[M+NH4]+ 286.02570 163.6
[M+K]+ 306.95504 153.3
[M+H-H2O]+ 250.98914 140.7
[M+HCOO]- 312.99008 171.6
[M+CH3COO]- 327.00573 190.1
[M+Na-2H]- 288.96655 153.5
[M]+ 267.99133 150.1
[M]- 267.99243 150.1
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.