CID 12106

Tri-p-tolyl phosphite

Structural Information

Molecular Formula
C21H21O3P
SMILES
CC1=CC=C(C=C1)OP(OC2=CC=C(C=C2)C)OC3=CC=C(C=C3)C
InChI
InChI=1S/C21H21O3P/c1-16-4-10-19(11-5-16)22-25(23-20-12-6-17(2)7-13-20)24-21-14-8-18(3)9-15-21/h4-15H,1-3H3
InChIKey
FEVFLQDDNUQKRY-UHFFFAOYSA-N
Compound name
tris(4-methylphenyl) phosphite
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

11289
Patents

352.12283 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.13011 186.1
[M+Na]+ 375.11205 192.1
[M-H]- 351.11555 194.4
[M+NH4]+ 370.15665 198.9
[M+K]+ 391.08599 188.6
[M+H-H2O]+ 335.12009 173.8
[M+HCOO]- 397.12103 213.6
[M+CH3COO]- 411.13668 216.2
[M+Na-2H]- 373.09750 184.8
[M]+ 352.12228 190.2
[M]- 352.12338 190.2
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