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]+ 171.99600 127.9
[M+Na]+ 193.97794 141.1
[M-H]- 169.98144 129.8
[M+NH4]+ 189.02254 147.1
[M+K]+ 209.95188 136.2
[M+H-H2O]+ 153.98598 117.1
[M+HCOO]- 215.98692 143.4
[M+CH3COO]- 230.00257 188.6
[M+Na-2H]- 191.96339 133.4
[M]+ 170.98817 123.6
[M]- 170.98927 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.