CID 57458869

3-fluoroethamphetamine

Structural Information

Molecular Formula
C11H16FN
SMILES
CCNC(C)CC1=CC(=CC=C1)F
InChI
InChI=1S/C11H16FN/c1-3-13-9(2)7-10-5-4-6-11(12)8-10/h4-6,8-9,13H,3,7H2,1-2H3
InChIKey
CKPWHLGHHXSVJI-UHFFFAOYSA-N
Compound name
N-ethyl-1-(3-fluorophenyl)propan-2-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

181.12668 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.13396 140.0
[M+Na]+ 204.11590 146.4
[M-H]- 180.11940 142.2
[M+NH4]+ 199.16050 159.9
[M+K]+ 220.08984 144.1
[M+H-H2O]+ 164.12394 133.1
[M+HCOO]- 226.12488 162.9
[M+CH3COO]- 240.14053 186.9
[M+Na-2H]- 202.10135 144.9
[M]+ 181.12613 138.5
[M]- 181.12723 138.5
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

No patent data available for this compound.