CID 155822835

2140750-33-8

Structural Information

Molecular Formula
C9H13ClO
SMILES
CC1CC1C2CC2C(=O)CCl
InChI
InChI=1S/C9H13ClO/c1-5-2-6(5)7-3-8(7)9(11)4-10/h5-8H,2-4H2,1H3
InChIKey
QXICNDXTYJYJMQ-UHFFFAOYSA-N
Compound name
2-chloro-1-[2-(2-methylcyclopropyl)cyclopropyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.06549 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.07277 140.6
[M+Na]+ 195.05471 149.0
[M-H]- 171.05821 147.6
[M+NH4]+ 190.09931 150.5
[M+K]+ 211.02865 146.0
[M+H-H2O]+ 155.06275 135.5
[M+HCOO]- 217.06369 156.4
[M+CH3COO]- 231.07934 193.9
[M+Na-2H]- 193.04016 142.4
[M]+ 172.06494 146.0
[M]- 172.06604 146.0
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.