CID 12871967

2-(heptafluoropropyl)-1,4-dimethoxybenzene

Structural Information

Molecular Formula
C11H9F7O2
SMILES
COC1=CC(=C(C=C1)OC)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C11H9F7O2/c1-19-6-3-4-8(20-2)7(5-6)9(12,13)10(14,15)11(16,17)18/h3-5H,1-2H3
InChIKey
LZEJFINVPVDRLW-UHFFFAOYSA-N
Compound name
2-(1,1,2,2,3,3,3-heptafluoropropyl)-1,4-dimethoxybenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

306.04907 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.05635 159.2
[M+Na]+ 329.03829 169.2
[M-H]- 305.04179 154.5
[M+NH4]+ 324.08289 174.2
[M+K]+ 345.01223 166.3
[M+H-H2O]+ 289.04633 148.3
[M+HCOO]- 351.04727 171.1
[M+CH3COO]- 365.06292 204.3
[M+Na-2H]- 327.02374 163.1
[M]+ 306.04852 152.7
[M]- 306.04962 152.7
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

No patent data available for this compound.