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]+ 151.066606 125.8
[M+Na]+ 173.048548 136.3
[M-H]- 149.052054 128.1
[M+NH4]+ 168.093153 148.6
[M+K]+ 189.022488 133.0
[M+H-H2O]+ 133.056590 119.1
[M+HCOO]- 195.057531 149.6
[M+CH3COO]- 209.073181 140.3
[M+Na-2H]- 171.033996 132.8
[M]+ 150.05878142 123.5
[M]- 150.05987858 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