CID 3442789

4-chloro-2-hydroxybenzonitrile

Structural Information

Molecular Formula
C7H4ClNO
SMILES
C1=CC(=C(C=C1Cl)O)C#N
InChI
InChI=1S/C7H4ClNO/c8-6-2-1-5(4-9)7(10)3-6/h1-3,10H
InChIKey
SMUWKRUWTDAYKS-UHFFFAOYSA-N
Compound name
4-chloro-2-hydroxybenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

123
Patents

152.99814 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.00542 128.1
[M+Na]+ 175.98736 140.7
[M-H]- 151.99086 131.0
[M+NH4]+ 171.03196 147.9
[M+K]+ 191.96130 135.9
[M+H-H2O]+ 135.99540 118.0
[M+HCOO]- 197.99634 144.5
[M+CH3COO]- 212.01199 185.2
[M+Na-2H]- 173.97281 134.7
[M]+ 152.99759 124.5
[M]- 152.99869 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

No literature data available for this compound.

Patent stripe

patents stripe