CID 113172

63302-49-8

Structural Information

Molecular Formula
C30H46ClO2P
SMILES
CCCCCCCCCC1=CC=C(C=C1)OP(OC2=CC=C(C=C2)CCCCCCCCC)Cl
InChI
InChI=1S/C30H46ClO2P/c1-3-5-7-9-11-13-15-17-27-19-23-29(24-20-27)32-34(31)33-30-25-21-28(22-26-30)18-16-14-12-10-8-6-4-2/h19-26H,3-18H2,1-2H3
InChIKey
XWUQKTYXUWUEDG-UHFFFAOYSA-N
Compound name
chloro-bis(4-nonylphenoxy)phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

504.2924 Da
Monoisotopic Mass

13.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 505.29968 236.7
[M+Na]+ 527.28162 237.9
[M-H]- 503.28512 239.1
[M+NH4]+ 522.32622 244.7
[M+K]+ 543.25556 229.9
[M+H-H2O]+ 487.28966 224.1
[M+HCOO]- 549.29060 255.2
[M+CH3COO]- 563.30625 246.6
[M+Na-2H]- 525.26707 228.6
[M]+ 504.29185 247.6
[M]- 504.29295 247.6
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