CID 17764578

Diammonium 2-(dimethylamino)-4-nitrophenyl phosphate

Structural Information

Molecular Formula
C8H11N2O6P
SMILES
CN(C)C1=C(C=CC(=C1)[N+](=O)[O-])OP(=O)(O)O
InChI
InChI=1S/C8H11N2O6P/c1-9(2)7-5-6(10(11)12)3-4-8(7)16-17(13,14)15/h3-5H,1-2H3,(H2,13,14,15)
InChIKey
PZMJLAMSOBSEEJ-UHFFFAOYSA-N
Compound name
[2-(dimethylamino)-4-nitrophenyl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

262.03546 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.04274 148.9
[M+Na]+ 285.02468 155.1
[M-H]- 261.02818 150.9
[M+NH4]+ 280.06928 164.3
[M+K]+ 300.99862 151.4
[M+H-H2O]+ 245.03272 145.4
[M+HCOO]- 307.03366 177.9
[M+CH3COO]- 321.04931 189.2
[M+Na-2H]- 283.01013 155.3
[M]+ 262.03491 150.3
[M]- 262.03601 150.3
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