CID 221970

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

Structural Information

Molecular Formula
C9H11ClO
SMILES
C1=CC=C(C(=C1)CCCO)Cl
InChI
InChI=1S/C9H11ClO/c10-9-6-2-1-4-8(9)5-3-7-11/h1-2,4,6,11H,3,5,7H2
InChIKey
RROVHEOLZYPASG-UHFFFAOYSA-N
Compound name
3-(2-chlorophenyl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

93
Patents

170.04984 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.05712 132.7
[M+Na]+ 193.03906 146.9
[M+NH4]+ 188.08366 142.3
[M+K]+ 209.01300 139.0
[M-H]- 169.04256 135.2
[M+Na-2H]- 191.02451 140.5
[M]+ 170.04929 135.8
[M]- 170.05039 135.8
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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