CID 4737631

4-bromo-1,2-bis(trifluoromethyl)benzene

Structural Information

Molecular Formula
C8H3BrF6
SMILES
C1=CC(=C(C=C1Br)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C8H3BrF6/c9-4-1-2-5(7(10,11)12)6(3-4)8(13,14)15/h1-3H
InChIKey
SVWLLRHUNXRVOS-UHFFFAOYSA-N
Compound name
4-bromo-1,2-bis(trifluoromethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

62
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

No literature data available for this compound.

Patent stripe

patents stripe