CID 10885546

Benzene, (heptadecafluorooctyl)-

Structural Information

Molecular Formula
C14H5F17
SMILES
C1=CC=C(C=C1)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C14H5F17/c15-7(16,6-4-2-1-3-5-6)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)31/h1-5H
InChIKey
CYLIQDNNFMKOLN-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylbenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

43
Patents

496.012 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 497.01928 200.3
[M+Na]+ 519.00122 209.6
[M-H]- 495.00472 186.3
[M+NH4]+ 514.04582 206.2
[M+K]+ 534.97516 204.2
[M+H-H2O]+ 479.00926 183.1
[M+HCOO]- 541.01020 193.6
[M+CH3COO]- 555.02585 237.3
[M+Na-2H]- 516.98667 202.7
[M]+ 496.01145 173.9
[M]- 496.01255 173.9
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