CID 60792575

3-(3-chlorophenyl)cyclobutan-1-ol

Structural Information

Molecular Formula
C10H11ClO
SMILES
C1C(CC1O)C2=CC(=CC=C2)Cl
InChI
InChI=1S/C10H11ClO/c11-9-3-1-2-7(4-9)8-5-10(12)6-8/h1-4,8,10,12H,5-6H2
InChIKey
XRENHEYMBXIJNW-UHFFFAOYSA-N
Compound name
3-(3-chlorophenyl)cyclobutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

182.04984 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.05712 129.5
[M+Na]+ 205.03906 137.6
[M-H]- 181.04256 134.9
[M+NH4]+ 200.08366 143.7
[M+K]+ 221.01300 136.1
[M+H-H2O]+ 165.04710 120.1
[M+HCOO]- 227.04804 146.6
[M+CH3COO]- 241.06369 181.4
[M+Na-2H]- 203.02451 135.2
[M]+ 182.04929 138.0
[M]- 182.05039 138.0
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

patents stripe