CID 94300

1-chloro-3-phenoxypropan-2-ol

Structural Information

Molecular Formula
C9H11ClO2
SMILES
C1=CC=C(C=C1)OCC(CCl)O
InChI
InChI=1S/C9H11ClO2/c10-6-8(11)7-12-9-4-2-1-3-5-9/h1-5,8,11H,6-7H2
InChIKey
HCTDRZMGZRHFJV-UHFFFAOYSA-N
Compound name
1-chloro-3-phenoxypropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

138
Patents

186.04475 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.05203 136.4
[M+Na]+ 209.03397 149.4
[M+NH4]+ 204.07857 145.3
[M+K]+ 225.00791 142.6
[M-H]- 185.03747 138.2
[M+Na-2H]- 207.01942 143.5
[M]+ 186.04420 139.0
[M]- 186.04530 139.0
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

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