CID 15113090

4-chloro-1-cyclopropylbutan-1-one

Structural Information

Molecular Formula
C7H11ClO
SMILES
C1CC1C(=O)CCCCl
InChI
InChI=1S/C7H11ClO/c8-5-1-2-7(9)6-3-4-6/h6H,1-5H2
InChIKey
XEOBKBCNROPQAT-UHFFFAOYSA-N
Compound name
4-chloro-1-cyclopropylbutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

146.04984 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.05712 127.7
[M+Na]+ 169.03906 136.9
[M-H]- 145.04256 132.0
[M+NH4]+ 164.08366 145.0
[M+K]+ 185.01300 133.7
[M+H-H2O]+ 129.04710 122.7
[M+HCOO]- 191.04804 146.6
[M+CH3COO]- 205.06369 178.1
[M+Na-2H]- 167.02451 133.3
[M]+ 146.04929 132.1
[M]- 146.05039 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