CID 54595027

5-fluoro-1h-isoindol-3-amine hydrochloride

Structural Information

Molecular Formula
C8H7FN2
SMILES
C1C2=C(C=C(C=C2)F)C(=N1)N
InChI
InChI=1S/C8H7FN2/c9-6-2-1-5-4-11-8(10)7(5)3-6/h1-3H,4H2,(H2,10,11)
InChIKey
SZMIZUFNIBWLFW-UHFFFAOYSA-N
Compound name
6-fluoro-3H-isoindol-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

150.05933 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.06661 125.8
[M+Na]+ 173.04855 136.3
[M-H]- 149.05205 128.1
[M+NH4]+ 168.09315 148.6
[M+K]+ 189.02249 133.0
[M+H-H2O]+ 133.05659 119.1
[M+HCOO]- 195.05753 149.6
[M+CH3COO]- 209.07318 140.3
[M+Na-2H]- 171.03400 132.8
[M]+ 150.05878 123.5
[M]- 150.05988 123.5
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