CID 155819809

2470435-89-1

Structural Information

Molecular Formula
C10H13ClF2O
SMILES
C1CC(CCC12CC2C(=O)CCl)(F)F
InChI
InChI=1S/C10H13ClF2O/c11-6-8(14)7-5-9(7)1-3-10(12,13)4-2-9/h7H,1-6H2
InChIKey
ORRXQSIDWONCQI-UHFFFAOYSA-N
Compound name
2-chloro-1-(6,6-difluorospiro[2.5]octan-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.0623 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.06958 141.0
[M+Na]+ 245.05152 150.3
[M-H]- 221.05502 144.7
[M+NH4]+ 240.09612 159.3
[M+K]+ 261.02546 147.3
[M+H-H2O]+ 205.05956 135.8
[M+HCOO]- 267.06050 153.6
[M+CH3COO]- 281.07615 189.1
[M+Na-2H]- 243.03697 145.5
[M]+ 222.06175 139.9
[M]- 222.06285 139.9
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

No patent data available for this compound.