CID 137896

3345-29-7

Structural Information

Molecular Formula
C16H8F8
SMILES
C1=CC2=CC=C1C(C(C3=CC=C(C=C3)C(C2(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C16H8F8/c17-13(18)9-1-2-10(4-3-9)14(19,20)16(23,24)12-7-5-11(6-8-12)15(13,21)22/h1-8H
InChIKey
KCKIWSAAWFKXMA-UHFFFAOYSA-N
Compound name
2,2,3,3,8,8,9,9-octafluorotricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

97
Patents

352.04984 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.05712 188.4
[M+Na]+ 375.03906 197.0
[M-H]- 351.04256 165.0
[M+NH4]+ 370.08366 205.7
[M+K]+ 391.01300 192.7
[M+H-H2O]+ 335.04710 182.5
[M+HCOO]- 397.04804 185.1
[M+CH3COO]- 411.06369 190.2
[M+Na-2H]- 373.02451 193.6
[M]+ 352.04929 180.2
[M]- 352.05039 180.2
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