CID 129921068

5-chloro-5-phenylpentan-1-ol

Structural Information

Molecular Formula
C11H15ClO
SMILES
C1=CC=C(C=C1)C(CCCCO)Cl
InChI
InChI=1S/C11H15ClO/c12-11(8-4-5-9-13)10-6-2-1-3-7-10/h1-3,6-7,11,13H,4-5,8-9H2
InChIKey
SZJLBRODDNCWIR-UHFFFAOYSA-N
Compound name
5-chloro-5-phenylpentan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.08115 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.08843 143.1
[M+Na]+ 221.07037 149.8
[M-H]- 197.07387 144.7
[M+NH4]+ 216.11497 162.5
[M+K]+ 237.04431 145.4
[M+H-H2O]+ 181.07841 138.2
[M+HCOO]- 243.07935 160.2
[M+CH3COO]- 257.09500 181.5
[M+Na-2H]- 219.05582 148.1
[M]+ 198.08060 144.6
[M]- 198.08170 144.6
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

No patent data available for this compound.