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]+ 173.072766 140.6
[M+Na]+ 195.054708 149.0
[M-H]- 171.058214 147.6
[M+NH4]+ 190.099313 150.5
[M+K]+ 211.028648 146.0
[M+H-H2O]+ 155.062750 135.5
[M+HCOO]- 217.063691 156.4
[M+CH3COO]- 231.079341 193.9
[M+Na-2H]- 193.040156 142.4
[M]+ 172.06494142 146.0
[M]- 172.06603858 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.