CID 23844155

2,5-dimethoxy-4-fluoroamphetamine

Structural Information

Molecular Formula
C11H16FNO2
SMILES
CC(CC1=CC(=C(C=C1OC)F)OC)N
InChI
InChI=1S/C11H16FNO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3
InChIKey
NRANUECGGQVXOT-UHFFFAOYSA-N
Compound name
1-(4-fluoro-2,5-dimethoxyphenyl)propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

72
Patents

213.1165 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.12378 146.2
[M+Na]+ 236.10572 154.5
[M-H]- 212.10922 148.6
[M+NH4]+ 231.15032 165.1
[M+K]+ 252.07966 152.8
[M+H-H2O]+ 196.11376 139.3
[M+HCOO]- 258.11470 168.9
[M+CH3COO]- 272.13035 192.7
[M+Na-2H]- 234.09117 148.6
[M]+ 213.11595 147.4
[M]- 213.11705 147.4
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