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

41
Patents

186.04475 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.05203 135.9
[M+Na]+ 209.03397 144.6
[M-H]- 185.03747 138.3
[M+NH4]+ 204.07857 156.2
[M+K]+ 225.00791 140.9
[M+H-H2O]+ 169.04201 131.4
[M+HCOO]- 231.04295 155.0
[M+CH3COO]- 245.05860 177.7
[M+Na-2H]- 207.01942 142.6
[M]+ 186.04420 139.2
[M]- 186.04530 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