CID 446833

Bis-napthyl beta-ketophosphonic acid

Structural Information

Molecular Formula
C22H17O4P
SMILES
C1=CC=C2C=C(C=CC2=C1)C(=O)[C@@H](C3=CC=CC4=CC=CC=C43)P(=O)(O)O
InChI
InChI=1S/C22H17O4P/c23-21(18-13-12-15-6-1-2-8-17(15)14-18)22(27(24,25)26)20-11-5-9-16-7-3-4-10-19(16)20/h1-14,22H,(H2,24,25,26)/t22-/m1/s1
InChIKey
OFHMUASCSJJNNA-JOCHJYFZSA-N
Compound name
[(1R)-1-naphthalen-1-yl-2-naphthalen-2-yl-2-oxoethyl]phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

29
Patents

376.08646 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.09374 188.6
[M+Na]+ 399.07568 194.7
[M-H]- 375.07918 193.0
[M+NH4]+ 394.12028 200.4
[M+K]+ 415.04962 189.6
[M+H-H2O]+ 359.08372 177.6
[M+HCOO]- 421.08466 209.8
[M+CH3COO]- 435.10031 214.7
[M+Na-2H]- 397.06113 191.4
[M]+ 376.08591 189.1
[M]- 376.08701 189.1
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