CID 51342017

106209-21-6

Structural Information

Molecular Formula
C16H7F17
SMILES
C=CC1=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/C16H7F17/c1-2-7-3-5-8(6-4-7)9(17,18)10(19,20)11(21,22)12(23,24)13(25,26)14(27,28)15(29,30)16(31,32)33/h2-6H,1H2
InChIKey
DBTAMHSPOTZDDY-UHFFFAOYSA-N
Compound name
1-ethenyl-4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)benzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

522.02765 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 523.03493 207.5
[M+Na]+ 545.01687 217.0
[M-H]- 521.02037 193.6
[M+NH4]+ 540.06147 175.2
[M+K]+ 560.99081 210.9
[M+H-H2O]+ 505.02491 190.3
[M+HCOO]- 567.02585 191.0
[M+CH3COO]- 581.04150 242.3
[M+Na-2H]- 543.00232 208.5
[M]+ 522.02710 181.4
[M]- 522.02820 181.4
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