CID 89089150

Methyl[(2,3,5-trifluorophenyl)methyl]amine hydrochloride

Structural Information

Molecular Formula
C8H8F3N
SMILES
CNCC1=C(C(=CC(=C1)F)F)F
InChI
InChI=1S/C8H8F3N/c1-12-4-5-2-6(9)3-7(10)8(5)11/h2-3,12H,4H2,1H3
InChIKey
UFPLYFAJLZOKEO-UHFFFAOYSA-N
Compound name
N-methyl-1-(2,3,5-trifluorophenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

175.06088 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.06816 130.1
[M+Na]+ 198.05010 140.1
[M-H]- 174.05360 130.7
[M+NH4]+ 193.09470 150.8
[M+K]+ 214.02404 137.1
[M+H-H2O]+ 158.05814 122.2
[M+HCOO]- 220.05908 152.8
[M+CH3COO]- 234.07473 184.8
[M+Na-2H]- 196.03555 135.3
[M]+ 175.06033 126.6
[M]- 175.06143 126.6
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