CID 21949878

3-chloro-5-hydroxybenzonitrile

Structural Information

Molecular Formula
C7H4ClNO
SMILES
C1=C(C=C(C=C1O)Cl)C#N
InChI
InChI=1S/C7H4ClNO/c8-6-1-5(4-9)2-7(10)3-6/h1-3,10H
InChIKey
GHYUOOZZOMUNSY-UHFFFAOYSA-N
Compound name
3-chloro-5-hydroxybenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

531
Patents

152.99814 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.005416 128.1
[M+Na]+ 175.987358 140.7
[M-H]- 151.990864 131.0
[M+NH4]+ 171.031963 147.9
[M+K]+ 191.961298 135.9
[M+H-H2O]+ 135.995400 118.0
[M+HCOO]- 197.996341 144.5
[M+CH3COO]- 212.011991 185.2
[M+Na-2H]- 173.972806 134.7
[M]+ 152.99759142 124.5
[M]- 152.99868858 124.5
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

patents stripe