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 135.4
[M+Na]+ 209.03397 145.6
[M-H]- 185.03747 137.2
[M+NH4]+ 204.07857 155.6
[M+K]+ 225.00791 141.0
[M+H-H2O]+ 169.04201 131.8
[M+HCOO]- 231.04295 152.9
[M+CH3COO]- 245.05860 177.4
[M+Na-2H]- 207.01942 140.2
[M]+ 186.04420 137.6
[M]- 186.04530 137.6
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.