CID 132229244

Tfpo-cf2-2fb

Structural Information

Molecular Formula
C21H14F6O
SMILES
CCC1=CC=C(C=C1)C2=CC(=C(C=C2)C(OC3=CC(=C(C(=C3)F)F)F)(F)F)F
InChI
InChI=1S/C21H14F6O/c1-2-12-3-5-13(6-4-12)14-7-8-16(17(22)9-14)21(26,27)28-15-10-18(23)20(25)19(24)11-15/h3-11H,2H2,1H3
InChIKey
TXVAFLJBDVSXDL-UHFFFAOYSA-N
Compound name
5-[[4-(4-ethylphenyl)-2-fluorophenyl]-difluoromethoxy]-1,2,3-trifluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

396.09488 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.10216 190.1
[M+Na]+ 419.08410 201.2
[M-H]- 395.08760 192.8
[M+NH4]+ 414.12870 201.5
[M+K]+ 435.05804 193.4
[M+H-H2O]+ 379.09214 175.7
[M+HCOO]- 441.09308 205.1
[M+CH3COO]- 455.10873 224.5
[M+Na-2H]- 417.06955 189.0
[M]+ 396.09433 185.3
[M]- 396.09543 185.3
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