CID 13488618

54839-12-2

Structural Information

Molecular Formula
C11H11ClO
SMILES
C1CC1CC(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C11H11ClO/c12-10-5-3-9(4-6-10)11(13)7-8-1-2-8/h3-6,8H,1-2,7H2
InChIKey
QKCYUBJJPXLRFJ-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-2-cyclopropylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

194.04984 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.05712 136.1
[M+Na]+ 217.03906 145.9
[M-H]- 193.04256 143.4
[M+NH4]+ 212.08366 151.6
[M+K]+ 233.01300 141.5
[M+H-H2O]+ 177.04710 130.3
[M+HCOO]- 239.04804 155.5
[M+CH3COO]- 253.06369 186.1
[M+Na-2H]- 215.02451 141.6
[M]+ 194.04929 140.1
[M]- 194.05039 140.1
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