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]+ 183.057116 129.5
[M+Na]+ 205.039058 137.6
[M-H]- 181.042564 134.9
[M+NH4]+ 200.083663 143.7
[M+K]+ 221.012998 136.1
[M+H-H2O]+ 165.047100 120.1
[M+HCOO]- 227.048041 146.6
[M+CH3COO]- 241.063691 181.4
[M+Na-2H]- 203.024506 135.2
[M]+ 182.04929142 138.0
[M]- 182.05038858 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