CID 12643155

2-fluoro-2-phenylethan-1-amine

Structural Information

Molecular Formula
C8H10FN
SMILES
C1=CC=C(C=C1)C(CN)F
InChI
InChI=1S/C8H10FN/c9-8(6-10)7-4-2-1-3-5-7/h1-5,8H,6,10H2
InChIKey
BNBAGEDGPDCSJP-UHFFFAOYSA-N
Compound name
2-fluoro-2-phenylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

475
Patents

139.07973 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.087006 126.9
[M+Na]+ 162.068948 133.6
[M-H]- 138.072454 128.7
[M+NH4]+ 157.113553 147.9
[M+K]+ 178.042888 131.6
[M+H-H2O]+ 122.076990 120.3
[M+HCOO]- 184.077931 150.1
[M+CH3COO]- 198.093581 176.0
[M+Na-2H]- 160.054396 133.1
[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