CID 2775963

5122-16-7

Structural Information

Molecular Formula
C8H2BrF5O
SMILES
C(C(=O)C1=C(C(=C(C(=C1F)F)F)F)F)Br
InChI
InChI=1S/C8H2BrF5O/c9-1-2(15)3-4(10)6(12)8(14)7(13)5(3)11/h1H2
InChIKey
CIYHGZNFDGHGDK-UHFFFAOYSA-N
Compound name
2-bromo-1-(2,3,4,5,6-pentafluorophenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

287.92093 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.92821 148.6
[M+Na]+ 310.91015 163.9
[M-H]- 286.91365 149.9
[M+NH4]+ 305.95475 168.6
[M+K]+ 326.88409 151.4
[M+H-H2O]+ 270.91819 145.1
[M+HCOO]- 332.91913 165.0
[M+CH3COO]- 346.93478 199.5
[M+Na-2H]- 308.89560 150.3
[M]+ 287.92038 162.4
[M]- 287.92148 162.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe