CID 42034

5-chloro-3-ethyl-2-methoxybenzyl alcohol

Structural Information

Molecular Formula
C10H13ClO2
SMILES
CCC1=C(C(=CC(=C1)Cl)CO)OC
InChI
InChI=1S/C10H13ClO2/c1-3-7-4-9(11)5-8(6-12)10(7)13-2/h4-5,12H,3,6H2,1-2H3
InChIKey
CURKESUTRPIYLA-UHFFFAOYSA-N
Compound name
(5-chloro-3-ethyl-2-methoxyphenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.06041 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.067686 139.4
[M+Na]+ 223.049628 149.6
[M-H]- 199.053134 142.4
[M+NH4]+ 218.094233 159.8
[M+K]+ 239.023568 145.7
[M+H-H2O]+ 183.057670 135.3
[M+HCOO]- 245.058611 158.1
[M+CH3COO]- 259.074261 183.0
[M+Na-2H]- 221.035076 144.2
[M]+ 200.05986142 143.9
[M]- 200.06095858 143.9
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.