CID 4052641

6-benzoyl-2-naphthyl phosphate disodium

Structural Information

Molecular Formula
C17H13O5P
SMILES
C1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)C=C(C=C3)OP(=O)(O)O
InChI
InChI=1S/C17H13O5P/c18-17(12-4-2-1-3-5-12)15-7-6-14-11-16(22-23(19,20)21)9-8-13(14)10-15/h1-11H,(H2,19,20,21)
InChIKey
IMOOIRRVPMIBOL-UHFFFAOYSA-N
Compound name
(6-benzoylnaphthalen-2-yl) dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

328.05005 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.05733 173.4
[M+Na]+ 351.03927 180.0
[M-H]- 327.04277 177.3
[M+NH4]+ 346.08387 186.7
[M+K]+ 367.01321 176.5
[M+H-H2O]+ 311.04731 163.4
[M+HCOO]- 373.04825 196.9
[M+CH3COO]- 387.06390 203.4
[M+Na-2H]- 349.02472 176.5
[M]+ 328.04950 174.6
[M]- 328.05060 174.6
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