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
2
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 162.4
[M+Na]+ 349.02452 172.0
[M-H]- 325.02802 155.2
[M+NH4]+ 344.06912 176.1
[M+K]+ 364.99846 168.2
[M+H-H2O]+ 309.03256 150.0
[M+HCOO]- 371.03350 170.3
[M+CH3COO]- 385.04915 207.7
[M+Na-2H]- 347.00997 166.5
[M]+ 326.03475 150.6
[M]- 326.03585 150.6
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