CID 16771160

Methyl({1-[3-(trifluoromethyl)phenyl]ethyl})amine

Structural Information

Molecular Formula
C10H12F3N
SMILES
CC(C1=CC(=CC=C1)C(F)(F)F)NC
InChI
InChI=1S/C10H12F3N/c1-7(14-2)8-4-3-5-9(6-8)10(11,12)13/h3-7,14H,1-2H3
InChIKey
JRSKXURJVQNHMS-UHFFFAOYSA-N
Compound name
N-methyl-1-[3-(trifluoromethyl)phenyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

13
Patents

203.09218 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.09946 140.8
[M+Na]+ 226.08140 148.3
[M-H]- 202.08490 140.7
[M+NH4]+ 221.12600 159.8
[M+K]+ 242.05534 145.7
[M+H-H2O]+ 186.08944 132.7
[M+HCOO]- 248.09038 160.3
[M+CH3COO]- 262.10603 189.1
[M+Na-2H]- 224.06685 145.6
[M]+ 203.09163 135.9
[M]- 203.09273 135.9
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