CID 12550549

6840-28-4

Structural Information

Molecular Formula
C19H17OP
SMILES
CC1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C19H17OP/c1-16-12-14-19(15-13-16)21(20,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15H,1H3
InChIKey
FSTTVKGSJLFJAC-UHFFFAOYSA-N
Compound name
1-diphenylphosphoryl-4-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

317
Patents

292.1017 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.10898 170.6
[M+Na]+ 315.09092 177.1
[M-H]- 291.09442 178.8
[M+NH4]+ 310.13552 185.6
[M+K]+ 331.06486 171.8
[M+H-H2O]+ 275.09896 159.4
[M+HCOO]- 337.09990 198.0
[M+CH3COO]- 351.11555 202.8
[M+Na-2H]- 313.07637 173.6
[M]+ 292.10115 169.9
[M]- 292.10225 169.9
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