CID 57074132

Schembl3919113

Structural Information

Molecular Formula
C36H51O4P
SMILES
CCCCCCCCCC1=CC=C(C=C1)OP(=O)(OC2=CC=CC=C2)OC3=CC=C(C=C3)CCCCCCCCC
InChI
InChI=1S/C36H51O4P/c1-3-5-7-9-11-13-16-20-32-24-28-35(29-25-32)39-41(37,38-34-22-18-15-19-23-34)40-36-30-26-33(27-31-36)21-17-14-12-10-8-6-4-2/h15,18-19,22-31H,3-14,16-17,20-21H2,1-2H3
InChIKey
ULFLCVCVJGSEAZ-UHFFFAOYSA-N
Compound name
bis(4-nonylphenyl) phenyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

578.3525 Da
Monoisotopic Mass

14.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 579.35978 257.5
[M+Na]+ 601.34172 256.3
[M-H]- 577.34522 262.2
[M+NH4]+ 596.38632 260.3
[M+K]+ 617.31566 249.7
[M+H-H2O]+ 561.34976 241.6
[M+HCOO]- 623.35070 279.1
[M+CH3COO]- 637.36635 259.1
[M+Na-2H]- 599.32717 251.1
[M]+ 578.35195 266.5
[M]- 578.35305 266.5
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