CID 131423802

3-amino-2-fluoro-6-hydroxybenzonitrile

Structural Information

Molecular Formula
C7H5FN2O
SMILES
C1=CC(=C(C(=C1N)F)C#N)O
InChI
InChI=1S/C7H5FN2O/c8-7-4(3-9)6(11)2-1-5(7)10/h1-2,11H,10H2
InChIKey
NEXDFEVXEGICQJ-UHFFFAOYSA-N
Compound name
3-amino-2-fluoro-6-hydroxybenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

152.03859 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.045866 128.9
[M+Na]+ 175.027808 140.2
[M-H]- 151.031314 130.2
[M+NH4]+ 170.072413 147.3
[M+K]+ 191.001748 137.2
[M+H-H2O]+ 135.035850 116.7
[M+HCOO]- 197.036791 148.5
[M+CH3COO]- 211.052441 189.1
[M+Na-2H]- 173.013256 133.7
[M]+ 152.03804142 121.0
[M]- 152.03913858 121.0
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.