CID 43197896

1-(2,5-difluorophenyl)butan-1-amine

Structural Information

Molecular Formula
C10H13F2N
SMILES
CCCC(C1=C(C=CC(=C1)F)F)N
InChI
InChI=1S/C10H13F2N/c1-2-3-10(13)8-6-7(11)4-5-9(8)12/h4-6,10H,2-3,13H2,1H3
InChIKey
WZELAQPTMYJSRD-UHFFFAOYSA-N
Compound name
1-(2,5-difluorophenyl)butan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.10161 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.108886 138.3
[M+Na]+ 208.090828 146.1
[M-H]- 184.094334 139.1
[M+NH4]+ 203.135433 158.0
[M+K]+ 224.064768 143.2
[M+H-H2O]+ 168.098870 130.8
[M+HCOO]- 230.099811 159.8
[M+CH3COO]- 244.115461 187.1
[M+Na-2H]- 206.076276 141.3
[M]+ 185.10106142 134.6
[M]- 185.10215858 134.6
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.