CID 40737

5-chloro-3-ethyl-2-hydroxybenzyl alcohol

Structural Information

Molecular Formula
C9H11ClO2
SMILES
CCC1=C(C(=CC(=C1)Cl)CO)O
InChI
InChI=1S/C9H11ClO2/c1-2-6-3-8(10)4-7(5-11)9(6)12/h3-4,11-12H,2,5H2,1H3
InChIKey
DEMINBGYOLLYLR-UHFFFAOYSA-N
Compound name
4-chloro-2-ethyl-6-(hydroxymethyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.04475 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.05203 135.5
[M+Na]+ 209.03397 149.4
[M+NH4]+ 204.07857 144.2
[M+K]+ 225.00791 142.7
[M-H]- 185.03747 137.1
[M+Na-2H]- 207.01942 141.7
[M]+ 186.04420 138.2
[M]- 186.04530 138.2
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

No patent data available for this compound.