CID 11001917

1-methoxy-4-(nonafluorobutyl)benzene

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
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

literature stripe

Patent stripe

patents stripe