CID 99652908

1,2,3,4,5,6,7,8-octafluoro-9,10-bis[4-(trifluoromethyl)phenyl]anthracene

Structural Information

Molecular Formula
C28H8F14
SMILES
C1=CC(=CC=C1C2=C3C(=C(C4=C2C(=C(C(=C4F)F)F)F)C5=CC=C(C=C5)C(F)(F)F)C(=C(C(=C3F)F)F)F)C(F)(F)F
InChI
InChI=1S/C28H8F14/c29-19-15-13(9-1-5-11(6-2-9)27(37,38)39)16-18(22(32)26(36)24(34)20(16)30)14(17(15)21(31)25(35)23(19)33)10-3-7-12(8-4-10)28(40,41)42/h1-8H
InChIKey
FFUQDRYCGMPMRR-UHFFFAOYSA-N
Compound name
1,2,3,4,5,6,7,8-octafluoro-9,10-bis[4-(trifluoromethyl)phenyl]anthracene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

610.0402 Da
Monoisotopic Mass

10.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 611.04748 250.4
[M+Na]+ 633.02942 268.2
[M-H]- 609.03292 247.3
[M+NH4]+ 628.07402 255.7
[M+K]+ 649.00336 255.1
[M+H-H2O]+ 593.03746 228.3
[M+HCOO]- 655.03840 252.2
[M+CH3COO]- 669.05405 264.4
[M+Na-2H]- 631.01487 241.9
[M]+ 610.03965 238.0
[M]- 610.04075 238.0
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