CID 284464

Nsc666493

Structural Information

Molecular Formula
C14H13N2O6P
SMILES
CC1=C(C=C(C=C1)[N+](=O)[O-])P(=O)(C2=C(C=CC(=C2)[N+](=O)[O-])C)O
InChI
InChI=1S/C14H13N2O6P/c1-9-3-5-11(15(17)18)7-13(9)23(21,22)14-8-12(16(19)20)6-4-10(14)2/h3-8H,1-2H3,(H,21,22)
InChIKey
WXBOLJNHJSEAHM-UHFFFAOYSA-N
Compound name
bis(2-methyl-5-nitrophenyl)phosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

336.05112 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.05840 170.7
[M+Na]+ 359.04034 176.3
[M-H]- 335.04384 176.1
[M+NH4]+ 354.08494 182.1
[M+K]+ 375.01428 165.7
[M+H-H2O]+ 319.04838 170.2
[M+HCOO]- 381.04932 198.5
[M+CH3COO]- 395.06497 197.5
[M+Na-2H]- 357.02579 178.1
[M]+ 336.05057 169.2
[M]- 336.05167 169.2
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