CID 122630239

Tfmepo-cf2-df3b

Structural Information

Molecular Formula
C23H17F7O
SMILES
CCCC1=CC=C(C=C1)C2=CC(=C(C(=C2)F)C(OC3=CC(=C(C(=C3C)F)F)F)(F)F)F
InChI
InChI=1S/C23H17F7O/c1-3-4-13-5-7-14(8-6-13)15-9-16(24)20(17(25)10-15)23(29,30)31-19-11-18(26)22(28)21(27)12(19)2/h5-11H,3-4H2,1-2H3
InChIKey
QXDAODVIURYQBR-UHFFFAOYSA-N
Compound name
1-[[2,6-difluoro-4-(4-propylphenyl)phenyl]-difluoromethoxy]-3,4,5-trifluoro-2-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

442.11676 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.12404 202.9
[M+Na]+ 465.10598 214.9
[M-H]- 441.10948 204.6
[M+NH4]+ 460.15058 212.8
[M+K]+ 481.07992 206.4
[M+H-H2O]+ 425.11402 187.5
[M+HCOO]- 487.11496 215.9
[M+CH3COO]- 501.13061 235.4
[M+Na-2H]- 463.09143 198.6
[M]+ 442.11621 198.3
[M]- 442.11731 198.3
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