CID 43138670

[4-(tert-butoxy)-2-(trifluoromethyl)phenyl]methanamine

Structural Information

Molecular Formula
C12H16F3NO
SMILES
CC(C)(C)OC1=CC(=C(C=C1)CN)C(F)(F)F
InChI
InChI=1S/C12H16F3NO/c1-11(2,3)17-9-5-4-8(7-16)10(6-9)12(13,14)15/h4-6H,7,16H2,1-3H3
InChIKey
LJMNWNQABBSGBI-UHFFFAOYSA-N
Compound name
[4-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)phenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

247.1184 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.12568 153.7
[M+Na]+ 270.10762 162.0
[M-H]- 246.11112 153.3
[M+NH4]+ 265.15222 171.1
[M+K]+ 286.08156 159.1
[M+H-H2O]+ 230.11566 145.8
[M+HCOO]- 292.11660 171.5
[M+CH3COO]- 306.13225 196.7
[M+Na-2H]- 268.09307 157.7
[M]+ 247.11785 150.3
[M]- 247.11895 150.3
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

No patent data available for this compound.