CID 96742784

(1r)-1-(7-fluoro-1-benzofuran-3-yl)ethan-1-amine hydrochloride

Structural Information

Molecular Formula
C10H10FNO
SMILES
C[C@H](C1=COC2=C1C=CC=C2F)N
InChI
InChI=1S/C10H10FNO/c1-6(12)8-5-13-10-7(8)3-2-4-9(10)11/h2-6H,12H2,1H3/t6-/m1/s1
InChIKey
UDFBRQFWZWRZMY-ZCFIWIBFSA-N
Compound name
(1R)-1-(7-fluoro-1-benzofuran-3-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.07465 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.081926 134.4
[M+Na]+ 202.063868 144.7
[M-H]- 178.067374 138.9
[M+NH4]+ 197.108473 156.0
[M+K]+ 218.037808 142.7
[M+H-H2O]+ 162.071910 128.3
[M+HCOO]- 224.072851 158.4
[M+CH3COO]- 238.088501 183.4
[M+Na-2H]- 200.049316 140.7
[M]+ 179.07410142 135.1
[M]- 179.07519858 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

No patent data available for this compound.