CID 2774768

151868-17-6

Structural Information

Molecular Formula
C8H6F4O
SMILES
COC1=CC=CC(=C1F)C(F)(F)F
InChI
InChI=1S/C8H6F4O/c1-13-6-4-2-3-5(7(6)9)8(10,11)12/h2-4H,1H3
InChIKey
YZZDEYSCSPZMIG-UHFFFAOYSA-N
Compound name
2-fluoro-1-methoxy-3-(trifluoromethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

62
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

No literature data available for this compound.

Patent stripe

patents stripe