CID 140305786

Tris(2-propylheptyl) phosphite

Structural Information

Molecular Formula
C30H63O3P
SMILES
CCCCCC(CCC)COP(OCC(CCC)CCCCC)OCC(CCC)CCCCC
InChI
InChI=1S/C30H63O3P/c1-7-13-16-22-28(19-10-4)25-31-34(32-26-29(20-11-5)23-17-14-8-2)33-27-30(21-12-6)24-18-15-9-3/h28-30H,7-27H2,1-6H3
InChIKey
BMLZQCFVTFAJSN-UHFFFAOYSA-N
Compound name
tris(2-propylheptyl) phosphite
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

502.45148 Da
Monoisotopic Mass

12.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 503.45876 240.9
[M+Na]+ 525.44070 246.7
[M-H]- 501.44420 227.0
[M+NH4]+ 520.48530 245.0
[M+K]+ 541.41464 246.8
[M+H-H2O]+ 485.44874 236.2
[M+HCOO]- 547.44968 242.8
[M+CH3COO]- 561.46533 253.7
[M+Na-2H]- 523.42615 225.5
[M]+ 502.45093 239.5
[M]- 502.45203 239.5
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