CID 80146949

2-chloro-1-(2,2,3,3-tetramethylcyclopropyl)ethan-1-one

Structural Information

Molecular Formula
C9H15ClO
SMILES
CC1(C(C1(C)C)C(=O)CCl)C
InChI
InChI=1S/C9H15ClO/c1-8(2)7(6(11)5-10)9(8,3)4/h7H,5H2,1-4H3
InChIKey
XIGVVKNJOVSTBD-UHFFFAOYSA-N
Compound name
2-chloro-1-(2,2,3,3-tetramethylcyclopropyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.08115 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.08843 131.6
[M+Na]+ 197.07037 143.0
[M-H]- 173.07387 137.1
[M+NH4]+ 192.11497 152.2
[M+K]+ 213.04431 141.0
[M+H-H2O]+ 157.07841 129.8
[M+HCOO]- 219.07935 149.1
[M+CH3COO]- 233.09500 185.3
[M+Na-2H]- 195.05582 137.4
[M]+ 174.08060 138.4
[M]- 174.08170 138.4
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

No patent data available for this compound.