CID 11052938

1583-76-2

Structural Information

Molecular Formula
C8H6F5N
SMILES
C(CN)C1=C(C(=C(C(=C1F)F)F)F)F
InChI
InChI=1S/C8H6F5N/c9-4-3(1-2-14)5(10)7(12)8(13)6(4)11/h1-2,14H2
InChIKey
ZUMQWHFKAXDURB-UHFFFAOYSA-N
Compound name
2-(2,3,4,5,6-pentafluorophenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

100
Patents

211.04204 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.049316 136.0
[M+Na]+ 234.031258 147.9
[M-H]- 210.034764 134.0
[M+NH4]+ 229.075863 155.2
[M+K]+ 250.005198 143.7
[M+H-H2O]+ 194.039300 126.6
[M+HCOO]- 256.040241 155.7
[M+CH3COO]- 270.055891 192.4
[M+Na-2H]- 232.016706 137.4
[M]+ 211.04149142 129.6
[M]- 211.04258858 129.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe