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

38
Patents

194.04984 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.057116 136.1
[M+Na]+ 217.039058 145.9
[M-H]- 193.042564 143.4
[M+NH4]+ 212.083663 151.6
[M+K]+ 233.012998 141.5
[M+H-H2O]+ 177.047100 130.3
[M+HCOO]- 239.048041 155.5
[M+CH3COO]- 253.063691 186.1
[M+Na-2H]- 215.024506 141.6
[M]+ 194.04929142 140.1
[M]- 194.05038858 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