CID 54595781

2-fluoro-5-(furan-2-yl)aniline

Structural Information

Molecular Formula
C10H8FNO
SMILES
C1=COC(=C1)C2=CC(=C(C=C2)F)N
InChI
InChI=1S/C10H8FNO/c11-8-4-3-7(6-9(8)12)10-2-1-5-13-10/h1-6H,12H2
InChIKey
VHSWCGZYIBRVDT-UHFFFAOYSA-N
Compound name
2-fluoro-5-(furan-2-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.05899 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.06627 133.1
[M+Na]+ 200.04821 142.6
[M-H]- 176.05171 139.6
[M+NH4]+ 195.09281 153.4
[M+K]+ 216.02215 140.4
[M+H-H2O]+ 160.05625 126.3
[M+HCOO]- 222.05719 158.4
[M+CH3COO]- 236.07284 181.0
[M+Na-2H]- 198.03366 139.1
[M]+ 177.05844 131.7
[M]- 177.05954 131.7
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.