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]+ 195.057116 132.0
[M+Na]+ 217.039058 140.4
[M-H]- 193.042564 138.6
[M+NH4]+ 212.083663 146.3
[M+K]+ 233.012998 138.9
[M+H-H2O]+ 177.047100 122.2
[M+HCOO]- 239.048041 150.4
[M+CH3COO]- 253.063691 186.1
[M+Na-2H]- 215.024506 137.6
[M]+ 194.04929142 142.0
[M]- 194.05038858 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.