CID 71656150

1254038-52-2

Structural Information

Molecular Formula
C9H6BrF5
SMILES
C1=CC(=CC=C1C(CBr)(F)F)C(F)(F)F
InChI
InChI=1S/C9H6BrF5/c10-5-8(11,12)6-1-3-7(4-2-6)9(13,14)15/h1-4H,5H2
InChIKey
ZAEQXWHHJYBETJ-UHFFFAOYSA-N
Compound name
1-(2-bromo-1,1-difluoroethyl)-4-(trifluoromethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.9573 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.96458 171.5
[M+Na]+ 310.94652 171.7
[M+NH4]+ 305.99112 172.9
[M+K]+ 326.92046 170.6
[M-H]- 286.95002 165.9
[M+Na-2H]- 308.93197 171.1
[M]+ 287.95675 168.9
[M]- 287.95785 168.9
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.