CID 16776268

Methyl({[4-(trifluoromethoxy)phenyl]methyl})amine

Structural Information

Molecular Formula
C9H10F3NO
SMILES
CNCC1=CC=C(C=C1)OC(F)(F)F
InChI
InChI=1S/C9H10F3NO/c1-13-6-7-2-4-8(5-3-7)14-9(10,11)12/h2-5,13H,6H2,1H3
InChIKey
WBMLSSLJETYFHE-UHFFFAOYSA-N
Compound name
N-methyl-1-[4-(trifluoromethoxy)phenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

117
Patents

205.07144 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.078716 139.3
[M+Na]+ 228.060658 147.4
[M-H]- 204.064164 139.2
[M+NH4]+ 223.105263 158.2
[M+K]+ 244.034598 145.1
[M+H-H2O]+ 188.068700 131.0
[M+HCOO]- 250.069641 160.3
[M+CH3COO]- 264.085291 187.3
[M+Na-2H]- 226.046106 145.9
[M]+ 205.07089142 136.1
[M]- 205.07198858 136.1
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