CID 173926

Phosphorochloridic acid, bis(2-ethylhexyl) ester

Structural Information

Molecular Formula
C16H34ClO3P
SMILES
CCCCC(CC)COP(=O)(OCC(CC)CCCC)Cl
InChI
InChI=1S/C16H34ClO3P/c1-5-9-11-15(7-3)13-19-21(17,18)20-14-16(8-4)12-10-6-2/h15-16H,5-14H2,1-4H3
InChIKey
KAUDXYPROPQHMN-UHFFFAOYSA-N
Compound name
3-[[chloro(2-ethylhexoxy)phosphoryl]oxymethyl]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

340.19342 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.20070 189.5
[M+Na]+ 363.18264 193.4
[M-H]- 339.18614 187.4
[M+NH4]+ 358.22724 204.9
[M+K]+ 379.15658 190.2
[M+H-H2O]+ 323.19068 182.2
[M+HCOO]- 385.19162 208.2
[M+CH3COO]- 399.20727 214.8
[M+Na-2H]- 361.16809 185.9
[M]+ 340.19287 200.2
[M]- 340.19397 200.2
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