CID 14626614

4-amino-5-fluoro-2-hydroxybenzonitrile

Structural Information

Molecular Formula
C7H5FN2O
SMILES
C1=C(C(=CC(=C1F)N)O)C#N
InChI
InChI=1S/C7H5FN2O/c8-5-1-4(3-9)7(11)2-6(5)10/h1-2,11H,10H2
InChIKey
ONNXKOXERYZINB-UHFFFAOYSA-N
Compound name
4-amino-5-fluoro-2-hydroxybenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

152.03859 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.04587 128.9
[M+Na]+ 175.02781 140.2
[M-H]- 151.03131 130.2
[M+NH4]+ 170.07241 147.3
[M+K]+ 191.00175 137.2
[M+H-H2O]+ 135.03585 116.7
[M+HCOO]- 197.03679 148.5
[M+CH3COO]- 211.05244 189.1
[M+Na-2H]- 173.01326 133.7
[M]+ 152.03804 121.0
[M]- 152.03914 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

patents stripe