CID 4373654

4-(dimethylphosphoryl)benzoic acid

Structural Information

Molecular Formula
C9H11O3P
SMILES
CP(=O)(C)C1=CC=C(C=C1)C(=O)O
InChI
InChI=1S/C9H11O3P/c1-13(2,12)8-5-3-7(4-6-8)9(10)11/h3-6H,1-2H3,(H,10,11)
InChIKey
GCTILNTUUBVYEF-UHFFFAOYSA-N
Compound name
4-dimethylphosphorylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

198.04459 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.05187 142.0
[M+Na]+ 221.03381 150.0
[M-H]- 197.03731 143.7
[M+NH4]+ 216.07841 161.3
[M+K]+ 237.00775 148.4
[M+H-H2O]+ 181.04185 134.9
[M+HCOO]- 243.04279 168.7
[M+CH3COO]- 257.05844 182.2
[M+Na-2H]- 219.01926 144.8
[M]+ 198.04404 143.7
[M]- 198.04514 143.7
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