CID 6438383

2-(3,4-dimethoxyphenyl)-3-fluoroallylamine

Structural Information

Molecular Formula
C11H14FNO2
SMILES
COC1=C(C=C(C=C1)/C(=C\F)/CN)OC
InChI
InChI=1S/C11H14FNO2/c1-14-10-4-3-8(5-11(10)15-2)9(6-12)7-13/h3-6H,7,13H2,1-2H3/b9-6-
InChIKey
HLNSVKSSCLHOSW-TWGQIWQCSA-N
Compound name
(E)-2-(3,4-dimethoxyphenyl)-3-fluoroprop-2-en-1-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

29
References

73
Patents

211.10086 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.10814 145.5
[M+Na]+ 234.09008 153.1
[M-H]- 210.09358 147.5
[M+NH4]+ 229.13468 164.1
[M+K]+ 250.06402 150.8
[M+H-H2O]+ 194.09812 138.4
[M+HCOO]- 256.09906 168.4
[M+CH3COO]- 270.11471 189.9
[M+Na-2H]- 232.07553 148.6
[M]+ 211.10031 145.4
[M]- 211.10141 145.4
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