CID 15373488

1-methoxy-3-(nonafluorobutyl)benzene

Structural Information

Molecular Formula
C11H7F9O
SMILES
COC1=CC=CC(=C1)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C11H7F9O/c1-21-7-4-2-3-6(5-7)8(12,13)9(14,15)10(16,17)11(18,19)20/h2-5H,1H3
InChIKey
JHLMTFZYXXBSEC-UHFFFAOYSA-N
Compound name
1-methoxy-3-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

326.0353 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.04258 185.8
[M+Na]+ 349.02452 187.6
[M+NH4]+ 344.06912 185.6
[M+K]+ 364.99846 184.5
[M-H]- 325.02802 178.6
[M+Na-2H]- 347.00997 184.1
[M]+ 326.03475 183.7
[M]- 326.03585 183.7
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

patents stripe