CID 10886138

2-chloro-5-hydroxybenzonitrile

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

82
Patents

152.99814 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.00542 125.4
[M+Na]+ 175.98736 139.2
[M+NH4]+ 171.03196 131.3
[M+K]+ 191.96130 129.7
[M-H]- 151.99086 120.5
[M+Na-2H]- 173.97281 130.7
[M]+ 152.99759 125.5
[M]- 152.99869 125.5
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