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 133.4
[M+Na]+ 216.04069 144.3
[M-H]- 192.04419 132.4
[M+NH4]+ 211.08529 153.2
[M+K]+ 232.01463 140.5
[M+H-H2O]+ 176.04873 124.7
[M+HCOO]- 238.04967 154.3
[M+CH3COO]- 252.06532 188.2
[M+Na-2H]- 214.02614 136.1
[M]+ 193.05092 127.9
[M]- 193.05202 127.9
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

patents stripe