CID 13259417

2-(4-chlorophenoxy)propan-1-ol

Structural Information

Molecular Formula
C9H11ClO2
SMILES
CC(CO)OC1=CC=C(C=C1)Cl
InChI
InChI=1S/C9H11ClO2/c1-7(6-11)12-9-4-2-8(10)3-5-9/h2-5,7,11H,6H2,1H3
InChIKey
ULXGJWWZHKJAMQ-UHFFFAOYSA-N
Compound name
2-(4-chlorophenoxy)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

186.04475 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.05203 136.0
[M+Na]+ 209.03397 144.4
[M-H]- 185.03747 138.4
[M+NH4]+ 204.07857 156.2
[M+K]+ 225.00791 141.1
[M+H-H2O]+ 169.04201 131.6
[M+HCOO]- 231.04295 154.0
[M+CH3COO]- 245.05860 178.5
[M+Na-2H]- 207.01942 141.4
[M]+ 186.04420 138.7
[M]- 186.04530 138.7
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