CID 18674595

85073-19-4

Structural Information

Molecular Formula
C16H17O3P
SMILES
CC1=CC(=C(C(=C1)C)C(=O)P(=O)(C2=CC=CC=C2)O)C
InChI
InChI=1S/C16H17O3P/c1-11-9-12(2)15(13(3)10-11)16(17)20(18,19)14-7-5-4-6-8-14/h4-10H,1-3H3,(H,18,19)
InChIKey
JZDGWLGMEGSUGH-UHFFFAOYSA-N
Compound name
phenyl-(2,4,6-trimethylbenzoyl)phosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

3535
Patents

288.09152 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.09880 166.5
[M+Na]+ 311.08074 174.3
[M-H]- 287.08424 171.3
[M+NH4]+ 306.12534 182.1
[M+K]+ 327.05468 170.8
[M+H-H2O]+ 271.08878 157.4
[M+HCOO]- 333.08972 192.1
[M+CH3COO]- 347.10537 201.6
[M+Na-2H]- 309.06619 166.6
[M]+ 288.09097 168.5
[M]- 288.09207 168.5
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