CID 16228741

2-fluoro-1-phenylethan-1-amine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
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

No literature data available for this compound.

Patent stripe

patents stripe