CID 130872744

1-chloro-4-cyclopropylbutan-2-one

Structural Information

Molecular Formula
C7H11ClO
SMILES
C1CC1CCC(=O)CCl
InChI
InChI=1S/C7H11ClO/c8-5-7(9)4-3-6-1-2-6/h6H,1-5H2
InChIKey
DQCIGYDQEANLPO-UHFFFAOYSA-N
Compound name
1-chloro-4-cyclopropylbutan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

146.04984 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.057116 127.7
[M+Na]+ 169.039058 136.9
[M-H]- 145.042564 132.0
[M+NH4]+ 164.083663 145.0
[M+K]+ 185.012998 133.7
[M+H-H2O]+ 129.047100 122.7
[M+HCOO]- 191.048041 146.6
[M+CH3COO]- 205.063691 178.1
[M+Na-2H]- 167.024506 133.3
[M]+ 146.04929142 132.1
[M]- 146.05038858 132.1
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