CID 203835

15270-47-0

Structural Information

Molecular Formula
C14H18F3N
SMILES
CC(CC1=CC(=CC=C1)C(F)(F)F)NCC(=C)C
InChI
InChI=1S/C14H18F3N/c1-10(2)9-18-11(3)7-12-5-4-6-13(8-12)14(15,16)17/h4-6,8,11,18H,1,7,9H2,2-3H3
InChIKey
LBYGOKYMYRLVAO-UHFFFAOYSA-N
Compound name
2-methyl-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]prop-2-en-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.13913 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.14641 158.2
[M+Na]+ 280.12835 164.0
[M-H]- 256.13185 157.4
[M+NH4]+ 275.17295 174.8
[M+K]+ 296.10229 160.3
[M+H-H2O]+ 240.13639 149.4
[M+HCOO]- 302.13733 175.5
[M+CH3COO]- 316.15298 201.1
[M+Na-2H]- 278.11380 159.6
[M]+ 257.13858 153.4
[M]- 257.13968 153.4
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

No patent data available for this compound.