CID 62790249

7569-69-9

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.04475 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.05203 135.4
[M+Na]+ 209.03397 145.0
[M-H]- 185.03747 138.1
[M+NH4]+ 204.07857 156.0
[M+K]+ 225.00791 141.3
[M+H-H2O]+ 169.04201 131.2
[M+HCOO]- 231.04295 154.4
[M+CH3COO]- 245.05860 178.8
[M+Na-2H]- 207.01942 141.4
[M]+ 186.04420 139.1
[M]- 186.04530 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

No patent data available for this compound.