CID 21401890

Schembl6766950

Structural Information

Molecular Formula
C18H15O4P
SMILES
C1=CC=C(C=C1)C2=CC=CC=C2OP(=O)(O)OC3=CC=CC=C3
InChI
InChI=1S/C18H15O4P/c19-23(20,21-16-11-5-2-6-12-16)22-18-14-8-7-13-17(18)15-9-3-1-4-10-15/h1-14H,(H,19,20)
InChIKey
WFGXRKDVVUUWHE-UHFFFAOYSA-N
Compound name
phenyl (2-phenylphenyl) hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

326.0708 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.07808 175.4
[M+Na]+ 349.06002 181.3
[M-H]- 325.06352 182.4
[M+NH4]+ 344.10462 188.0
[M+K]+ 365.03396 177.5
[M+H-H2O]+ 309.06806 163.9
[M+HCOO]- 371.06900 202.2
[M+CH3COO]- 385.08465 203.6
[M+Na-2H]- 347.04547 179.0
[M]+ 326.07025 176.6
[M]- 326.07135 176.6
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