CID 20078783

Schembl10792972

Structural Information

Molecular Formula
C16H13O4P
SMILES
C1=CC=C(C=C1)OP(=O)(O)OC2=CC3=CC=CC=C3C=C2
InChI
InChI=1S/C16H13O4P/c17-21(18,19-15-8-2-1-3-9-15)20-16-11-10-13-6-4-5-7-14(13)12-16/h1-12H,(H,17,18)
InChIKey
YHHWUBFISDFCQR-UHFFFAOYSA-N
Compound name
naphthalen-2-yl phenyl hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

300.05515 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.06243 167.4
[M+Na]+ 323.04437 174.4
[M-H]- 299.04787 172.4
[M+NH4]+ 318.08897 182.6
[M+K]+ 339.01831 170.9
[M+H-H2O]+ 283.05241 157.2
[M+HCOO]- 345.05335 193.5
[M+CH3COO]- 359.06900 199.3
[M+Na-2H]- 321.02982 173.0
[M]+ 300.05460 169.6
[M]- 300.05570 169.6
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