CID 65590002

1-(2,4-difluorophenyl)but-3-en-2-amine hydrochloride

Structural Information

Molecular Formula
C10H11F2N
SMILES
C=CC(CC1=C(C=C(C=C1)F)F)N
InChI
InChI=1S/C10H11F2N/c1-2-9(13)5-7-3-4-8(11)6-10(7)12/h2-4,6,9H,1,5,13H2
InChIKey
CJVUWCRQADTWJA-UHFFFAOYSA-N
Compound name
1-(2,4-difluorophenyl)but-3-en-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.08595 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.093226 136.8
[M+Na]+ 206.075168 145.0
[M-H]- 182.078674 137.6
[M+NH4]+ 201.119773 156.5
[M+K]+ 222.049108 141.4
[M+H-H2O]+ 166.083210 129.4
[M+HCOO]- 228.084151 158.5
[M+CH3COO]- 242.099801 186.2
[M+Na-2H]- 204.060616 139.9
[M]+ 183.08540142 132.4
[M]- 183.08649858 132.4
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.