CID 57812675

1175300-41-0

Structural Information

Molecular Formula
C9H11ClO2
SMILES
CC(C1=C(C=CC=C1Cl)OC)O
InChI
InChI=1S/C9H11ClO2/c1-6(11)9-7(10)4-3-5-8(9)12-2/h3-6,11H,1-2H3
InChIKey
BXEJSDIRLCRHNO-UHFFFAOYSA-N
Compound name
1-(2-chloro-6-methoxyphenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

186.04475 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.05203 135.2
[M+Na]+ 209.03397 144.6
[M-H]- 185.03747 138.1
[M+NH4]+ 204.07857 155.8
[M+K]+ 225.00791 141.4
[M+H-H2O]+ 169.04201 131.2
[M+HCOO]- 231.04295 153.3
[M+CH3COO]- 245.05860 179.7
[M+Na-2H]- 207.01942 140.0
[M]+ 186.04420 138.3
[M]- 186.04530 138.3
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