CID 45080708

130158-23-5

Structural Information

Molecular Formula
C6H9ClO
SMILES
CC1CC1C(=O)CCl
InChI
InChI=1S/C6H9ClO/c1-4-2-5(4)6(8)3-7/h4-5H,2-3H2,1H3
InChIKey
HVRRRVQDZJXREN-UHFFFAOYSA-N
Compound name
2-chloro-1-(2-methylcyclopropyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

132.0342 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.04148 122.4
[M+Na]+ 155.02342 133.0
[M-H]- 131.02692 127.3
[M+NH4]+ 150.06802 140.6
[M+K]+ 170.99736 129.9
[M+H-H2O]+ 115.03146 118.0
[M+HCOO]- 177.03240 141.6
[M+CH3COO]- 191.04805 176.2
[M+Na-2H]- 153.00887 127.9
[M]+ 132.03365 126.9
[M]- 132.03475 126.9
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