CID 262992

5-chloro-2-phenyl-pentan-2-ol

Structural Information

Molecular Formula
C11H15ClO
SMILES
CC(CCCCl)(C1=CC=CC=C1)O
InChI
InChI=1S/C11H15ClO/c1-11(13,8-5-9-12)10-6-3-2-4-7-10/h2-4,6-7,13H,5,8-9H2,1H3
InChIKey
SXPWSYFGPRVEQY-UHFFFAOYSA-N
Compound name
5-chloro-2-phenylpentan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.08115 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.08843 143.2
[M+Na]+ 221.07037 150.7
[M-H]- 197.07387 145.2
[M+NH4]+ 216.11497 162.9
[M+K]+ 237.04431 146.2
[M+H-H2O]+ 181.07841 138.8
[M+HCOO]- 243.07935 159.8
[M+CH3COO]- 257.09500 181.0
[M+Na-2H]- 219.05582 150.1
[M]+ 198.08060 144.9
[M]- 198.08170 144.9
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.