CID 202121

7526-47-8

Structural Information

Molecular Formula
C18H24F7O2P
SMILES
CCCCP(=O)(CCCC)OC1=CC=C(C=C1)CC(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C18H24F7O2P/c1-3-5-11-28(26,12-6-4-2)27-15-9-7-14(8-10-15)13-16(19,20)17(21,22)18(23,24)25/h7-10H,3-6,11-13H2,1-2H3
InChIKey
UKLAQVBZLGYWDP-UHFFFAOYSA-N
Compound name
1-dibutylphosphoryloxy-4-(2,2,3,3,4,4,4-heptafluorobutyl)benzene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1
Patents

436.14023 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.14751 205.6
[M+Na]+ 459.12945 211.8
[M-H]- 435.13295 198.4
[M+NH4]+ 454.17405 215.7
[M+K]+ 475.10339 207.0
[M+H-H2O]+ 419.13749 191.1
[M+HCOO]- 481.13843 218.6
[M+CH3COO]- 495.15408 230.0
[M+Na-2H]- 457.11490 204.4
[M]+ 436.13968 201.2
[M]- 436.14078 201.2
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