CID 76495

Tridodecyl phosphite

Structural Information

Molecular Formula
C36H75O3P
SMILES
CCCCCCCCCCCCOP(OCCCCCCCCCCCC)OCCCCCCCCCCCC
InChI
InChI=1S/C36H75O3P/c1-4-7-10-13-16-19-22-25-28-31-34-37-40(38-35-32-29-26-23-20-17-14-11-8-5-2)39-36-33-30-27-24-21-18-15-12-9-6-3/h4-36H2,1-3H3
InChIKey
IVIIAEVMQHEPAY-UHFFFAOYSA-N
Compound name
tridodecyl phosphite
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

21009
Patents

586.5454 Da
Monoisotopic Mass

16.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 587.55268 264.5
[M+Na]+ 609.53462 267.5
[M-H]- 585.53812 243.3
[M+NH4]+ 604.57922 263.4
[M+K]+ 625.50856 268.5
[M+H-H2O]+ 569.54266 257.1
[M+HCOO]- 631.54360 270.9
[M+CH3COO]- 645.55925 268.6
[M+Na-2H]- 607.52007 244.2
[M]+ 586.54485 262.2
[M]- 586.54595 262.2
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