CID 18965420

1-(5-fluoro-1-benzofuran-2-yl)ethan-1-amine

Structural Information

Molecular Formula
C10H10FNO
SMILES
CC(C1=CC2=C(O1)C=CC(=C2)F)N
InChI
InChI=1S/C10H10FNO/c1-6(12)10-5-7-4-8(11)2-3-9(7)13-10/h2-6H,12H2,1H3
InChIKey
DVYLBXVDCSGLLN-UHFFFAOYSA-N
Compound name
1-(5-fluoro-1-benzofuran-2-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

179.07465 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.08193 134.4
[M+Na]+ 202.06387 144.7
[M-H]- 178.06737 138.9
[M+NH4]+ 197.10847 156.0
[M+K]+ 218.03781 142.7
[M+H-H2O]+ 162.07191 128.3
[M+HCOO]- 224.07285 158.4
[M+CH3COO]- 238.08850 183.4
[M+Na-2H]- 200.04932 140.7
[M]+ 179.07410 135.1
[M]- 179.07520 135.1
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

patents stripe