CID 380766

Nsc666475

Structural Information

Molecular Formula
C12H10IO3P
SMILES
C1=CC(=CC=C1C2=CC=C(C=C2)I)P(=O)(O)O
InChI
InChI=1S/C12H10IO3P/c13-11-5-1-9(2-6-11)10-3-7-12(8-4-10)17(14,15)16/h1-8H,(H2,14,15,16)
InChIKey
RNMMMUDLNAIZHV-UHFFFAOYSA-N
Compound name
[4-(4-iodophenyl)phenyl]phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.94122 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.94850 169.9
[M+Na]+ 382.93044 170.5
[M-H]- 358.93394 165.9
[M+NH4]+ 377.97504 181.0
[M+K]+ 398.90438 172.5
[M+H-H2O]+ 342.93848 157.4
[M+HCOO]- 404.93942 190.1
[M+CH3COO]- 418.95507 196.9
[M+Na-2H]- 380.91589 160.5
[M]+ 359.94067 166.6
[M]- 359.94177 166.6
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

No patent data available for this compound.