CID 2455014

3-chloro-5-ethoxy-4-hydroxybenzonitrile

Structural Information

Molecular Formula
C9H8ClNO2
SMILES
CCOC1=C(C(=CC(=C1)C#N)Cl)O
InChI
InChI=1S/C9H8ClNO2/c1-2-13-8-4-6(5-11)3-7(10)9(8)12/h3-4,12H,2H2,1H3
InChIKey
BJQSBBHDXHABFK-UHFFFAOYSA-N
Compound name
3-chloro-5-ethoxy-4-hydroxybenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

197.02435 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.03163 135.1
[M+Na]+ 220.01357 148.4
[M+NH4]+ 215.05817 140.2
[M+K]+ 235.98751 139.1
[M-H]- 196.01707 129.6
[M+Na-2H]- 217.99902 139.3
[M]+ 197.02380 134.9
[M]- 197.02490 134.9
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

No patent data available for this compound.