CID 3827412

3-chloro-5-cyclohexyl-2-hydroxybenzonitrile

Structural Information

Molecular Formula
C13H14ClNO
SMILES
C1CCC(CC1)C2=CC(=C(C(=C2)Cl)O)C#N
InChI
InChI=1S/C13H14ClNO/c14-12-7-10(6-11(8-15)13(12)16)9-4-2-1-3-5-9/h6-7,9,16H,1-5H2
InChIKey
IJKCQPMFLPRPNN-UHFFFAOYSA-N
Compound name
3-chloro-5-cyclohexyl-2-hydroxybenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

235.07639 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.08367 150.9
[M+Na]+ 258.06561 164.1
[M+NH4]+ 253.11021 156.8
[M+K]+ 274.03955 153.3
[M-H]- 234.06911 147.8
[M+Na-2H]- 256.05106 155.6
[M]+ 235.07584 151.4
[M]- 235.07694 151.4
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