CID 2774776

127271-65-2

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
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 132.6
[M+Na]+ 217.02470 143.0
[M-H]- 193.02820 131.9
[M+NH4]+ 212.06930 152.6
[M+K]+ 232.99864 140.7
[M+H-H2O]+ 177.03274 124.3
[M+HCOO]- 239.03368 151.9
[M+CH3COO]- 253.04933 183.5
[M+Na-2H]- 215.01015 138.3
[M]+ 194.03493 129.0
[M]- 194.03603 129.0
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