CID 23262378

2-(2,3,4,5-tetrafluorophenyl)ethan-1-amine hydrochloride

Structural Information

Molecular Formula
C8H7F4N
SMILES
C1=C(C(=C(C(=C1F)F)F)F)CCN
InChI
InChI=1S/C8H7F4N/c9-5-3-4(1-2-13)6(10)8(12)7(5)11/h3H,1-2,13H2
InChIKey
HKNCGYWBMZJMNX-UHFFFAOYSA-N
Compound name
2-(2,3,4,5-tetrafluorophenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

193.05147 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.05875 144.4
[M+Na]+ 216.04069 153.2
[M+NH4]+ 211.08529 149.7
[M+K]+ 232.01463 147.4
[M-H]- 192.04419 141.6
[M+Na-2H]- 214.02614 147.6
[M]+ 193.05092 144.5
[M]- 193.05202 144.5
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