CID 54673723

3-fluorophenmetrazine

Structural Information

Molecular Formula
C11H14FNO
SMILES
CC1C(OCCN1)C2=CC(=CC=C2)F
InChI
InChI=1S/C11H14FNO/c1-8-11(14-6-5-13-8)9-3-2-4-10(12)7-9/h2-4,7-8,11,13H,5-6H2,1H3
InChIKey
VHYVKJAQSJCYCK-UHFFFAOYSA-N
Compound name
2-(3-fluorophenyl)-3-methylmorpholine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

8
References

14
Patents

195.10594 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.113216 142.2
[M+Na]+ 218.095158 148.7
[M-H]- 194.098664 145.1
[M+NH4]+ 213.139763 158.2
[M+K]+ 234.069098 146.1
[M+H-H2O]+ 178.103200 134.1
[M+HCOO]- 240.104141 158.7
[M+CH3COO]- 254.119791 181.0
[M+Na-2H]- 216.080606 147.2
[M]+ 195.10539142 136.3
[M]- 195.10648858 136.3
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