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

628
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 156.7
[M+Na]+ 271.04945 162.3
[M-H]- 247.05295 159.3
[M+NH4]+ 266.09405 172.3
[M+K]+ 287.02339 158.9
[M+H-H2O]+ 231.05749 147.7
[M+HCOO]- 293.05843 181.5
[M+CH3COO]- 307.07408 187.4
[M+Na-2H]- 269.03490 159.6
[M]+ 248.05968 155.1
[M]- 248.06078 155.1
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

No patent data available for this compound.