CID 55282235

1-(2,3,5-trifluorophenyl)ethan-1-amine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.06088 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.06816 131.2
[M+Na]+ 198.05010 140.9
[M-H]- 174.05360 131.3
[M+NH4]+ 193.09470 151.5
[M+K]+ 214.02404 138.0
[M+H-H2O]+ 158.05814 123.4
[M+HCOO]- 220.05908 152.2
[M+CH3COO]- 234.07473 185.0
[M+Na-2H]- 196.03555 134.0
[M]+ 175.06033 125.9
[M]- 175.06143 125.9
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.