CID 2773199

302911-98-4

Structural Information

Molecular Formula
C9H5BrF6
SMILES
C1=CC(=C(C=C1C(F)(F)F)CBr)C(F)(F)F
InChI
InChI=1S/C9H5BrF6/c10-4-5-3-6(8(11,12)13)1-2-7(5)9(14,15)16/h1-3H,4H2
InChIKey
CHSQGVCRNVEWIA-UHFFFAOYSA-N
Compound name
2-(bromomethyl)-1,4-bis(trifluoromethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

150
Patents

305.94788 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.95516 178.6
[M+Na]+ 328.93710 178.5
[M+NH4]+ 323.98170 179.2
[M+K]+ 344.91104 177.2
[M-H]- 304.94060 172.5
[M+Na-2H]- 326.92255 177.2
[M]+ 305.94733 175.9
[M]- 305.94843 175.9
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

patents stripe