CID 1220717

3-chloro-4-hydroxy-5-methoxybenzonitrile

Structural Information

Molecular Formula
C8H6ClNO2
SMILES
COC1=C(C(=CC(=C1)C#N)Cl)O
InChI
InChI=1S/C8H6ClNO2/c1-12-7-3-5(4-10)2-6(9)8(7)11/h2-3,11H,1H3
InChIKey
GQXBIXKRMCRSCG-UHFFFAOYSA-N
Compound name
3-chloro-4-hydroxy-5-methoxybenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

183.00871 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.01599 130.9
[M+Na]+ 205.99793 144.4
[M+NH4]+ 201.04253 136.2
[M+K]+ 221.97187 135.4
[M-H]- 182.00143 125.6
[M+Na-2H]- 203.98338 135.4
[M]+ 183.00816 130.8
[M]- 183.00926 130.8
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