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]+ 186.10889 138.3
[M+Na]+ 208.09083 146.1
[M-H]- 184.09433 139.1
[M+NH4]+ 203.13543 158.0
[M+K]+ 224.06477 143.2
[M+H-H2O]+ 168.09887 130.8
[M+HCOO]- 230.09981 159.8
[M+CH3COO]- 244.11546 187.1
[M+Na-2H]- 206.07628 141.3
[M]+ 185.10106 134.6
[M]- 185.10216 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.