CID 165782563

2-chloro-5-fluoro-4-hydroxybenzonitrile

Structural Information

Molecular Formula
C7H3ClFNO
SMILES
C1=C(C(=CC(=C1F)O)Cl)C#N
InChI
InChI=1S/C7H3ClFNO/c8-5-2-7(11)6(9)1-4(5)3-10/h1-2,11H
InChIKey
DITQJCSIQRSKKJ-UHFFFAOYSA-N
Compound name
2-chloro-5-fluoro-4-hydroxybenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.98872 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.995996 127.9
[M+Na]+ 193.977938 141.1
[M-H]- 169.981444 129.8
[M+NH4]+ 189.022543 147.1
[M+K]+ 209.951878 136.2
[M+H-H2O]+ 153.985980 117.1
[M+HCOO]- 215.986921 143.4
[M+CH3COO]- 230.002571 188.6
[M+Na-2H]- 191.963386 133.4
[M]+ 170.98817142 123.6
[M]- 170.98926858 123.6
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.