CID 96691

3-(trifluoromethyl)anisole

Structural Information

Molecular Formula
C8H7F3O
SMILES
COC1=CC=CC(=C1)C(F)(F)F
InChI
InChI=1S/C8H7F3O/c1-12-7-4-2-3-6(5-7)8(9,10)11/h2-5H,1H3
InChIKey
XHONYVFDZSPELQ-UHFFFAOYSA-N
Compound name
1-methoxy-3-(trifluoromethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2527
Patents

176.0449 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.05218 139.3
[M+Na]+ 199.03412 149.4
[M+NH4]+ 194.07872 145.8
[M+K]+ 215.00806 143.7
[M-H]- 175.03762 136.8
[M+Na-2H]- 197.01957 144.4
[M]+ 176.04435 139.8
[M]- 176.04545 139.8
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