CID 6327749

Schembl4311614

Structural Information

Molecular Formula
C9H10INO3P
SMILES
C1=CC(=CC=C1CC(=O)NC[P+](=O)O)I
InChI
InChI=1S/C9H9INO3P/c10-8-3-1-7(2-4-8)5-9(12)11-6-15(13)14/h1-4H,5-6H2,(H-,11,12,13,14)/p+1
InChIKey
HVYODBROOQYJGM-UHFFFAOYSA-O
Compound name
hydroxy-[[[2-(4-iodophenyl)acetyl]amino]methyl]-oxophosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

337.9443 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.95158 167.4
[M+Na]+ 360.93352 166.3
[M-H]- 336.93702 161.9
[M+NH4]+ 355.97812 179.4
[M+K]+ 376.90746 164.9
[M+H-H2O]+ 320.94156 157.8
[M+HCOO]- 382.94250 189.3
[M+CH3COO]- 396.95815 191.0
[M+Na-2H]- 358.91897 157.7
[M]+ 337.94375 163.9
[M]- 337.94485 163.9
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