CID 54457787

2-(4-chloro-2-methoxyphenyl)ethan-1-ol

Structural Information

Molecular Formula
C9H11ClO2
SMILES
COC1=C(C=CC(=C1)Cl)CCO
InChI
InChI=1S/C9H11ClO2/c1-12-9-6-8(10)3-2-7(9)4-5-11/h2-3,6,11H,4-5H2,1H3
InChIKey
WZLFAOGIWTWHHY-UHFFFAOYSA-N
Compound name
2-(4-chloro-2-methoxyphenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

186.04475 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.052026 135.4
[M+Na]+ 209.033968 145.0
[M-H]- 185.037474 138.1
[M+NH4]+ 204.078573 156.0
[M+K]+ 225.007908 141.3
[M+H-H2O]+ 169.042010 131.2
[M+HCOO]- 231.042951 154.4
[M+CH3COO]- 245.058601 178.8
[M+Na-2H]- 207.019416 141.4
[M]+ 186.04420142 139.1
[M]- 186.04529858 139.1
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