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]+ 201.06769 139.4
[M+Na]+ 223.04963 149.6
[M-H]- 199.05313 142.4
[M+NH4]+ 218.09423 159.8
[M+K]+ 239.02357 145.7
[M+H-H2O]+ 183.05767 135.3
[M+HCOO]- 245.05861 158.1
[M+CH3COO]- 259.07426 183.0
[M+Na-2H]- 221.03508 144.2
[M]+ 200.05986 143.9
[M]- 200.06096 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.