CID 631653

1,2,3,4,5-pentafluoro-6-pentafluorophenoxybenzene

Structural Information

Molecular Formula
C12F10O
SMILES
C1(=C(C(=C(C(=C1F)F)F)F)F)OC2=C(C(=C(C(=C2F)F)F)F)F
InChI
InChI=1S/C12F10O/c13-1-3(15)7(19)11(8(20)4(1)16)23-12-9(21)5(17)2(14)6(18)10(12)22
InChIKey
QJHMHZVVRVXKOY-UHFFFAOYSA-N
Compound name
1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

296
Patents

349.97894 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.98622 163.2
[M+Na]+ 372.96816 180.1
[M-H]- 348.97166 160.0
[M+NH4]+ 368.01276 177.6
[M+K]+ 388.94210 173.0
[M+H-H2O]+ 332.97620 148.6
[M+HCOO]- 394.97714 177.0
[M+CH3COO]- 408.99279 218.2
[M+Na-2H]- 370.95361 158.9
[M]+ 349.97839 154.7
[M]- 349.97949 154.7
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