CID 59692174

2803855-79-8

Structural Information

Molecular Formula
C9H9F4N
SMILES
CNCC1=C(C=CC(=C1)C(F)(F)F)F
InChI
InChI=1S/C9H9F4N/c1-14-5-6-4-7(9(11,12)13)2-3-8(6)10/h2-4,14H,5H2,1H3
InChIKey
UWNQYQDSTUBRIO-UHFFFAOYSA-N
Compound name
1-[2-fluoro-5-(trifluoromethyl)phenyl]-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

207.06711 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.07439 148.7
[M+Na]+ 230.05633 156.8
[M+NH4]+ 225.10093 153.9
[M+K]+ 246.03027 151.2
[M-H]- 206.05983 145.4
[M+Na-2H]- 228.04178 152.4
[M]+ 207.06656 148.6
[M]- 207.06766 148.6
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