CID 59104

101913-92-2

Structural Information

Molecular Formula
C9H11ClF6O
SMILES
CC(C)CC(=O)CC(C(F)(F)F)(C(F)(F)F)Cl
InChI
InChI=1S/C9H11ClF6O/c1-5(2)3-6(17)4-7(10,8(11,12)13)9(14,15)16/h5H,3-4H2,1-2H3
InChIKey
OQZHHNFWZUUXMV-UHFFFAOYSA-N
Compound name
2-chloro-1,1,1-trifluoro-6-methyl-2-(trifluoromethyl)heptan-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.04025 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.04753 150.6
[M+Na]+ 307.02947 159.0
[M-H]- 283.03297 143.6
[M+NH4]+ 302.07407 167.3
[M+K]+ 323.00341 155.4
[M+H-H2O]+ 267.03751 142.9
[M+HCOO]- 329.03845 156.8
[M+CH3COO]- 343.05410 199.6
[M+Na-2H]- 305.01492 152.7
[M]+ 284.03970 145.0
[M]- 284.04080 145.0
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.