CID 13418754

1-(heptafluoropropyl)-4-methoxybenzene

Structural Information

Molecular Formula
C10H7F7O
SMILES
COC1=CC=C(C=C1)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C10H7F7O/c1-18-7-4-2-6(3-5-7)8(11,12)9(13,14)10(15,16)17/h2-5H,1H3
InChIKey
IAEFNLLTMXHRGE-UHFFFAOYSA-N
Compound name
1-(1,1,2,2,3,3,3-heptafluoropropyl)-4-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

276.0385 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.04578 151.6
[M+Na]+ 299.02772 161.2
[M-H]- 275.03122 146.7
[M+NH4]+ 294.07232 167.6
[M+K]+ 315.00166 157.9
[M+H-H2O]+ 259.03576 140.8
[M+HCOO]- 321.03670 163.6
[M+CH3COO]- 335.05235 198.2
[M+Na-2H]- 297.01317 156.5
[M]+ 276.03795 143.0
[M]- 276.03905 143.0
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