CID 122271

4-aminophenyl phosphate

Structural Information

Molecular Formula
C6H8NO4P
SMILES
C1=CC(=CC=C1N)OP(=O)(O)O
InChI
InChI=1S/C6H8NO4P/c7-5-1-3-6(4-2-5)11-12(8,9)10/h1-4H,7H2,(H2,8,9,10)
InChIKey
FXZCCINCKDATPA-UHFFFAOYSA-N
Compound name
(4-aminophenyl) dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

501
References

2050
Patents

189.01909 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.02637 137.6
[M+Na]+ 212.00831 145.2
[M-H]- 188.01181 137.5
[M+NH4]+ 207.05291 155.8
[M+K]+ 227.98225 143.7
[M+H-H2O]+ 172.01635 130.2
[M+HCOO]- 234.01729 165.0
[M+CH3COO]- 248.03294 177.4
[M+Na-2H]- 209.99376 141.9
[M]+ 189.01854 137.1
[M]- 189.01964 137.1
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

patents stripe