CID 10956501

155630-26-5

Structural Information

Molecular Formula
C6H7BrClF3O
SMILES
CC(=O)CCC(C(F)(F)Br)(F)Cl
InChI
InChI=1S/C6H7BrClF3O/c1-4(12)2-3-5(8,9)6(7,10)11/h2-3H2,1H3
InChIKey
IPNZTHFBEOLUHV-UHFFFAOYSA-N
Compound name
6-bromo-5-chloro-5,6,6-trifluorohexan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.9321 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.93938 146.9
[M+Na]+ 288.92132 159.6
[M-H]- 264.92482 146.6
[M+NH4]+ 283.96592 168.0
[M+K]+ 304.89526 146.8
[M+H-H2O]+ 248.92936 146.8
[M+HCOO]- 310.93030 157.4
[M+CH3COO]- 324.94595 191.9
[M+Na-2H]- 286.90677 152.8
[M]+ 265.93155 163.5
[M]- 265.93265 163.5
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.