CID 255

645-15-8

Structural Information

Molecular Formula
C12H9N2O8P
SMILES
C1=CC(=CC=C1[N+](=O)[O-])OP(=O)(O)OC2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C12H9N2O8P/c15-13(16)9-1-5-11(6-2-9)21-23(19,20)22-12-7-3-10(4-8-12)14(17)18/h1-8H,(H,19,20)
InChIKey
MHSVUSZEHNVFKW-UHFFFAOYSA-N
Compound name
bis(4-nitrophenyl) hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

255
References

1439
Patents

340.00964 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.01692 166.6
[M+Na]+ 362.99886 170.5
[M-H]- 339.00236 171.5
[M+NH4]+ 358.04346 176.9
[M+K]+ 378.97280 161.5
[M+H-H2O]+ 323.00690 165.3
[M+HCOO]- 385.00784 195.2
[M+CH3COO]- 399.02349 193.6
[M+Na-2H]- 360.98431 176.9
[M]+ 340.00909 165.9
[M]- 340.01019 165.9
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