CID 136551

2-(4-chloro-meta-tolyloxy)-ethanol

Structural Information

Molecular Formula
C9H11ClO2
SMILES
CC1=C(C=CC(=C1)OCCO)Cl
InChI
InChI=1S/C9H11ClO2/c1-7-6-8(12-5-4-11)2-3-9(7)10/h2-3,6,11H,4-5H2,1H3
InChIKey
ZQGKWFAIEHHYGU-UHFFFAOYSA-N
Compound name
2-(4-chloro-3-methylphenoxy)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

186.04475 Da
Monoisotopic Mass

2.7
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

literature stripe

Patent stripe

patents stripe