CID 129924257

3-[4-(chloromethyl)phenyl]cyclobutan-1-one

Structural Information

Molecular Formula
C11H11ClO
SMILES
C1C(CC1=O)C2=CC=C(C=C2)CCl
InChI
InChI=1S/C11H11ClO/c12-7-8-1-3-9(4-2-8)10-5-11(13)6-10/h1-4,10H,5-7H2
InChIKey
RXJWLPLPYBBPQG-UHFFFAOYSA-N
Compound name
3-[4-(chloromethyl)phenyl]cyclobutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.04984 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.05712 132.0
[M+Na]+ 217.03906 140.4
[M-H]- 193.04256 138.6
[M+NH4]+ 212.08366 146.3
[M+K]+ 233.01300 138.9
[M+H-H2O]+ 177.04710 122.2
[M+HCOO]- 239.04804 150.4
[M+CH3COO]- 253.06369 186.1
[M+Na-2H]- 215.02451 137.6
[M]+ 194.04929 142.0
[M]- 194.05039 142.0
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

No patent data available for this compound.