CID 136164

327-75-3

Structural Information

Molecular Formula
C8H3BrF6
SMILES
C1=CC(=C(C=C1C(F)(F)F)C(F)(F)F)Br
InChI
InChI=1S/C8H3BrF6/c9-6-2-1-4(7(10,11)12)3-5(6)8(13,14)15/h1-3H
InChIKey
QDEJWLIKRLJYEK-UHFFFAOYSA-N
Compound name
1-bromo-2,4-bis(trifluoromethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

246
Patents

291.93222 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.93950 175.5
[M+Na]+ 314.92144 175.5
[M+NH4]+ 309.96604 176.2
[M+K]+ 330.89538 174.3
[M-H]- 290.92494 169.3
[M+Na-2H]- 312.90689 174.2
[M]+ 291.93167 172.7
[M]- 291.93277 172.7
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