CID 101351

P-tolylphosphonic acid

Structural Information

Molecular Formula
C7H9O3P
SMILES
CC1=CC=C(C=C1)P(=O)(O)O
InChI
InChI=1S/C7H9O3P/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H2,8,9,10)
InChIKey
LYNDWSARZJHIKU-UHFFFAOYSA-N
Compound name
(4-methylphenyl)phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1218
Patents

172.02893 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.03621 135.7
[M+Na]+ 195.01815 144.0
[M-H]- 171.02165 136.1
[M+NH4]+ 190.06275 155.4
[M+K]+ 210.99209 142.0
[M+H-H2O]+ 155.02619 128.9
[M+HCOO]- 217.02713 162.2
[M+CH3COO]- 231.04278 173.7
[M+Na-2H]- 193.00360 140.0
[M]+ 172.02838 136.0
[M]- 172.02948 136.0
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