CID 20501383

75994-74-0

Structural Information

Molecular Formula
C17H19O3P
SMILES
CC1=CC(=C(C(=C1)C)C(=O)P(=O)(C2=CC=CC=C2)OC)C
InChI
InChI=1S/C17H19O3P/c1-12-10-13(2)16(14(3)11-12)17(18)21(19,20-4)15-8-6-5-7-9-15/h5-11H,1-4H3
InChIKey
IEWRMZSVIVEQCP-UHFFFAOYSA-N
Compound name
[methoxy(phenyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1370
Patents

302.10718 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.11446 170.3
[M+Na]+ 325.09640 178.2
[M-H]- 301.09990 176.4
[M+NH4]+ 320.14100 186.1
[M+K]+ 341.07034 175.3
[M+H-H2O]+ 285.10444 160.7
[M+HCOO]- 347.10538 197.1
[M+CH3COO]- 361.12103 207.1
[M+Na-2H]- 323.08185 170.4
[M]+ 302.10663 174.6
[M]- 302.10773 174.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe