CID 1551268

Phosphonic acid, (2-phenylethenyl)-

Structural Information

Molecular Formula
C8H9O3P
SMILES
C1=CC=C(C=C1)/C=C/P(=O)(O)O
InChI
InChI=1S/C8H9O3P/c9-12(10,11)7-6-8-4-2-1-3-5-8/h1-7H,(H2,9,10,11)/b7-6+
InChIKey
PGKQTZHDCHKDQK-VOTSOKGWSA-N
Compound name
[(E)-2-phenylethenyl]phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

275
Patents

184.02893 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.03621 139.9
[M+Na]+ 207.01815 147.3
[M-H]- 183.02165 139.8
[M+NH4]+ 202.06275 158.8
[M+K]+ 222.99209 144.4
[M+H-H2O]+ 167.02619 132.8
[M+HCOO]- 229.02713 166.3
[M+CH3COO]- 243.04278 173.9
[M+Na-2H]- 205.00360 144.4
[M]+ 184.02838 139.4
[M]- 184.02948 139.4
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