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 147.5
[M+Na]+ 258.07124 156.0
[M-H]- 234.07474 147.0
[M+NH4]+ 253.11584 165.1
[M+K]+ 274.04518 153.6
[M+H-H2O]+ 218.07928 139.0
[M+HCOO]- 280.08022 167.7
[M+CH3COO]- 294.09587 192.8
[M+Na-2H]- 256.05669 151.8
[M]+ 235.08147 145.4
[M]- 235.08257 145.4
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