CID 279159

(4-cyanophenyl)phosphonic acid

Structural Information

Molecular Formula
C7H6NO3P
SMILES
C1=CC(=CC=C1C#N)P(=O)(O)O
InChI
InChI=1S/C7H6NO3P/c8-5-6-1-3-7(4-2-6)12(9,10)11/h1-4H,(H2,9,10,11)
InChIKey
VRNGJVDKKRAVFE-UHFFFAOYSA-N
Compound name
(4-cyanophenyl)phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

183.00853 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.01581 136.7
[M+Na]+ 205.99775 146.9
[M-H]- 182.00125 137.1
[M+NH4]+ 201.04235 153.9
[M+K]+ 221.97169 144.3
[M+H-H2O]+ 166.00579 123.7
[M+HCOO]- 228.00673 159.5
[M+CH3COO]- 242.02238 187.9
[M+Na-2H]- 203.98320 141.0
[M]+ 183.00798 131.9
[M]- 183.00908 131.9
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