CID 58046356

1216072-89-7

Structural Information

Molecular Formula
C9H11ClO2
SMILES
CC(C1=C(C=CC(=C1)Cl)OC)O
InChI
InChI=1S/C9H11ClO2/c1-6(11)8-5-7(10)3-4-9(8)12-2/h3-6,11H,1-2H3
InChIKey
SZSSGZBQJZZVER-UHFFFAOYSA-N
Compound name
1-(5-chloro-2-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]+ 187.052026 135.2
[M+Na]+ 209.033968 144.6
[M-H]- 185.037474 138.1
[M+NH4]+ 204.078573 155.8
[M+K]+ 225.007908 141.4
[M+H-H2O]+ 169.042010 131.2
[M+HCOO]- 231.042951 153.3
[M+CH3COO]- 245.058601 179.7
[M+Na-2H]- 207.019416 140.0
[M]+ 186.04420142 138.3
[M]- 186.04529858 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