CID 79483

(3-chlorophenyl)phosphonic acid

Structural Information

Molecular Formula
C6H6ClO3P
SMILES
C1=CC(=CC(=C1)Cl)P(=O)(O)O
InChI
InChI=1S/C6H6ClO3P/c7-5-2-1-3-6(4-5)11(8,9)10/h1-4H,(H2,8,9,10)
InChIKey
KPRMTLXLUPSXMR-UHFFFAOYSA-N
Compound name
(3-chlorophenyl)phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

191.9743 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.98158 134.7
[M+Na]+ 214.96352 146.8
[M+NH4]+ 210.00812 142.2
[M+K]+ 230.93746 142.2
[M-H]- 190.96702 134.4
[M+Na-2H]- 212.94897 140.4
[M]+ 191.97375 136.4
[M]- 191.97485 136.4
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

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