CID 195023

Benzhydrylphosphonic acid

Structural Information

Molecular Formula
C13H13O3P
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)P(=O)(O)O
InChI
InChI=1S/C13H13O3P/c14-17(15,16)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H,(H2,14,15,16)
InChIKey
JDRCQIRZJMJGMW-UHFFFAOYSA-N
Compound name
benzhydrylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

624
Patents

248.06023 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.06751 155.4
[M+Na]+ 271.04945 167.6
[M+NH4]+ 266.09405 162.7
[M+K]+ 287.02339 162.3
[M-H]- 247.05295 157.6
[M+Na-2H]- 269.03490 163.3
[M]+ 248.05968 157.7
[M]- 248.06078 157.7
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