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]+ 184.09323 136.8
[M+Na]+ 206.07517 145.0
[M-H]- 182.07867 137.6
[M+NH4]+ 201.11977 156.5
[M+K]+ 222.04911 141.4
[M+H-H2O]+ 166.08321 129.4
[M+HCOO]- 228.08415 158.5
[M+CH3COO]- 242.09980 186.2
[M+Na-2H]- 204.06062 139.9
[M]+ 183.08540 132.4
[M]- 183.08650 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.