CID 23568873

137069-25-1

Structural Information

Molecular Formula
C10H12F3N
SMILES
CNCCC1=CC=C(C=C1)C(F)(F)F
InChI
InChI=1S/C10H12F3N/c1-14-7-6-8-2-4-9(5-3-8)10(11,12)13/h2-5,14H,6-7H2,1H3
InChIKey
KYAAWOAZYJXFBB-UHFFFAOYSA-N
Compound name
N-methyl-2-[4-(trifluoromethyl)phenyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

203.09218 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.099456 140.7
[M+Na]+ 226.081398 148.5
[M-H]- 202.084904 140.5
[M+NH4]+ 221.126003 159.8
[M+K]+ 242.055338 145.3
[M+H-H2O]+ 186.089440 132.5
[M+HCOO]- 248.090381 161.2
[M+CH3COO]- 262.106031 188.3
[M+Na-2H]- 224.066846 146.8
[M]+ 203.09163142 136.5
[M]- 203.09272858 136.5
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

patents stripe