CID 3034375

63302-94-3

Structural Information

Molecular Formula
C36H51O4P
SMILES
CCCCCCCCCC1=CC=CC=C1OP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3CCCCCCCCC
InChI
InChI=1S/C36H51O4P/c1-3-5-7-9-11-13-16-24-32-26-20-22-30-35(32)39-41(37,38-34-28-18-15-19-29-34)40-36-31-23-21-27-33(36)25-17-14-12-10-8-6-4-2/h15,18-23,26-31H,3-14,16-17,24-25H2,1-2H3
InChIKey
FTSMGZRCWLCYHC-UHFFFAOYSA-N
Compound name
bis(2-nonylphenyl) phenyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

62
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 253.7
[M+Na]+ 601.34172 265.5
[M+NH4]+ 596.38632 258.3
[M+K]+ 617.31566 253.9
[M-H]- 577.34522 258.6
[M+Na-2H]- 599.32717 260.2
[M]+ 578.35195 256.8
[M]- 578.35305 256.8
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