CID 140903503

2-chloro-1-(3-diphenylphosphorylcarbonyl-2,4,6-trimethylphenyl)ethanone

Structural Information

Molecular Formula
C24H22ClO3P
SMILES
CC1=CC(=C(C(=C1C(=O)CCl)C)C(=O)P(=O)(C2=CC=CC=C2)C3=CC=CC=C3)C
InChI
InChI=1S/C24H22ClO3P/c1-16-14-17(2)23(18(3)22(16)21(26)15-25)24(27)29(28,19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-14H,15H2,1-3H3
InChIKey
UMMMOTVSWRGSPY-UHFFFAOYSA-N
Compound name
2-chloro-1-(3-diphenylphosphorylcarbonyl-2,4,6-trimethylphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

424.09952 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.10680 199.5
[M+Na]+ 447.08874 207.0
[M-H]- 423.09224 208.2
[M+NH4]+ 442.13334 210.6
[M+K]+ 463.06268 200.8
[M+H-H2O]+ 407.09678 188.5
[M+HCOO]- 469.09772 219.6
[M+CH3COO]- 483.11337 228.6
[M+Na-2H]- 445.07419 196.1
[M]+ 424.09897 204.7
[M]- 424.10007 204.7
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