CID 14048762

Schembl679570

Structural Information

Molecular Formula
C30H47O4P
SMILES
CCCCCCCCCC1=CC=CC=C1OP(=O)(O)OC2=CC=CC=C2CCCCCCCCC
InChI
InChI=1S/C30H47O4P/c1-3-5-7-9-11-13-15-21-27-23-17-19-25-29(27)33-35(31,32)34-30-26-20-18-24-28(30)22-16-14-12-10-8-6-4-2/h17-20,23-26H,3-16,21-22H2,1-2H3,(H,31,32)
InChIKey
CYFOJKCBVRPKFI-UHFFFAOYSA-N
Compound name
bis(2-nonylphenyl) hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

373
Patents

502.3212 Da
Monoisotopic Mass

11.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 503.32848 237.2
[M+Na]+ 525.31042 237.4
[M-H]- 501.31392 238.4
[M+NH4]+ 520.35502 243.4
[M+K]+ 541.28436 231.4
[M+H-H2O]+ 485.31846 224.1
[M+HCOO]- 547.31940 258.6
[M+CH3COO]- 561.33505 243.9
[M+Na-2H]- 523.29587 231.6
[M]+ 502.32065 246.0
[M]- 502.32175 246.0
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