CID 11784123

9,10-dichlorooctafluoroanthracene

Structural Information

Molecular Formula
C14Cl2F8
SMILES
C12=C(C(=C(C(=C1F)F)F)F)C(=C3C(=C2Cl)C(=C(C(=C3F)F)F)F)Cl
InChI
InChI=1S/C14Cl2F8/c15-5-1-2(8(18)12(22)11(21)7(1)17)6(16)4-3(5)9(19)13(23)14(24)10(4)20
InChIKey
QQLRAWFMOWCSBU-UHFFFAOYSA-N
Compound name
9,10-dichloro-1,2,3,4,5,6,7,8-octafluoroanthracene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

389.92493 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.93221 167.7
[M+Na]+ 412.91415 187.9
[M-H]- 388.91765 165.1
[M+NH4]+ 407.95875 184.6
[M+K]+ 428.88809 177.3
[M+H-H2O]+ 372.92219 156.8
[M+HCOO]- 434.92313 173.5
[M+CH3COO]- 448.93878 179.3
[M+Na-2H]- 410.89960 166.7
[M]+ 389.92438 167.4
[M]- 389.92548 167.4
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