CID 12293187

3-(2-chlorophenoxy)propan-1-ol

Structural Information

Molecular Formula
C9H11ClO2
SMILES
C1=CC=C(C(=C1)OCCCO)Cl
InChI
InChI=1S/C9H11ClO2/c10-8-4-1-2-5-9(8)12-7-3-6-11/h1-2,4-5,11H,3,6-7H2
InChIKey
CSCKMYSAZZCGBM-UHFFFAOYSA-N
Compound name
3-(2-chlorophenoxy)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

186.04475 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.052026 135.9
[M+Na]+ 209.033968 144.6
[M-H]- 185.037474 138.3
[M+NH4]+ 204.078573 156.2
[M+K]+ 225.007908 140.9
[M+H-H2O]+ 169.042010 131.4
[M+HCOO]- 231.042951 155.0
[M+CH3COO]- 245.058601 177.7
[M+Na-2H]- 207.019416 142.6
[M]+ 186.04420142 139.2
[M]- 186.04529858 139.2
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