CID 16776854

[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methanamine

Structural Information

Molecular Formula
C10H12F3NO2
SMILES
COC1=C(C=CC(=C1)CN)OCC(F)(F)F
InChI
InChI=1S/C10H12F3NO2/c1-15-9-4-7(5-14)2-3-8(9)16-6-10(11,12)13/h2-4H,5-6,14H2,1H3
InChIKey
GOMQIGOCZXUMNF-UHFFFAOYSA-N
Compound name
[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

235.08202 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.08930 152.3
[M+Na]+ 258.07124 160.4
[M+NH4]+ 253.11584 157.3
[M+K]+ 274.04518 155.7
[M-H]- 234.07474 149.3
[M+Na-2H]- 256.05669 155.6
[M]+ 235.08147 152.3
[M]- 235.08257 152.3
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