CID 43138664

[4-(propan-2-yloxy)-2-(trifluoromethyl)phenyl]methanamine

Structural Information

Molecular Formula
C11H14F3NO
SMILES
CC(C)OC1=CC(=C(C=C1)CN)C(F)(F)F
InChI
InChI=1S/C11H14F3NO/c1-7(2)16-9-4-3-8(6-15)10(5-9)11(12,13)14/h3-5,7H,6,15H2,1-2H3
InChIKey
VCQQCFNUCGTGIP-UHFFFAOYSA-N
Compound name
[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

233.10275 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.11003 149.1
[M+Na]+ 256.09197 157.1
[M-H]- 232.09547 148.6
[M+NH4]+ 251.13657 166.9
[M+K]+ 272.06591 154.4
[M+H-H2O]+ 216.10001 140.8
[M+HCOO]- 278.10095 167.8
[M+CH3COO]- 292.11660 194.7
[M+Na-2H]- 254.07742 151.6
[M]+ 233.10220 145.4
[M]- 233.10330 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

literature stripe

Patent stripe

No patent data available for this compound.