CID 18748

2,6-dichloro-3-hydroxybenzonitrile

Structural Information

Molecular Formula
C7H3Cl2NO
SMILES
C1=CC(=C(C(=C1O)Cl)C#N)Cl
InChI
InChI=1S/C7H3Cl2NO/c8-5-1-2-6(11)7(9)4(5)3-10/h1-2,11H
InChIKey
JAIIUXZFGCEYAH-UHFFFAOYSA-N
Compound name
2,6-dichloro-3-hydroxybenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

186.95917 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.96645 128.5
[M+Na]+ 209.94839 142.9
[M+NH4]+ 204.99299 134.4
[M+K]+ 225.92233 133.2
[M-H]- 185.95189 123.6
[M+Na-2H]- 207.93384 133.6
[M]+ 186.95862 129.0
[M]- 186.95972 129.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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