CID 2774773

3-fluoro-5-(trifluoromethyl)anisole

Structural Information

Molecular Formula
C8H6F4O
SMILES
COC1=CC(=CC(=C1)C(F)(F)F)F
InChI
InChI=1S/C8H6F4O/c1-13-7-3-5(8(10,11)12)2-6(9)4-7/h2-4H,1H3
InChIKey
OTIIFKBTTATHNT-UHFFFAOYSA-N
Compound name
1-fluoro-3-methoxy-5-(trifluoromethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

194.03548 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.04276 146.8
[M+Na]+ 217.02470 155.7
[M+NH4]+ 212.06930 152.0
[M+K]+ 232.99864 150.3
[M-H]- 193.02820 142.9
[M+Na-2H]- 215.01015 150.4
[M]+ 194.03493 146.8
[M]- 194.03603 146.8
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