CID 2779060

1-(2-fluorophenyl)ethan-1-amine

Structural Information

Molecular Formula
C8H10FN
SMILES
C[C@H](C1=CC=CC=C1F)N
InChI
InChI=1S/C8H10FN/c1-6(10)7-4-2-3-5-8(7)9/h2-6H,10H2,1H3/t6-/m1/s1
InChIKey
DIWHJJUFVGEXGS-ZCFIWIBFSA-N
Compound name
(1R)-1-(2-fluorophenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

895
Patents

139.07973 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.087006 126.5
[M+Na]+ 162.068948 134.2
[M-H]- 138.072454 128.7
[M+NH4]+ 157.113553 147.8
[M+K]+ 178.042888 132.2
[M+H-H2O]+ 122.076990 120.2
[M+HCOO]- 184.077931 149.8
[M+CH3COO]- 198.093581 177.1
[M+Na-2H]- 160.054396 132.0
[M]+ 139.07918142 122.9
[M]- 139.08027858 122.9
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