CID 116932195

4-bromo-1-methyl-2-(2,2,2-trifluoroethyl)benzene

Structural Information

Molecular Formula
C9H8BrF3
SMILES
CC1=C(C=C(C=C1)Br)CC(F)(F)F
InChI
InChI=1S/C9H8BrF3/c1-6-2-3-8(10)4-7(6)5-9(11,12)13/h2-4H,5H2,1H3
InChIKey
LDMIMVLBWGSBPE-UHFFFAOYSA-N
Compound name
4-bromo-1-methyl-2-(2,2,2-trifluoroethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.97615 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.98343 155.9
[M+Na]+ 274.96537 158.0
[M+NH4]+ 270.00997 159.3
[M+K]+ 290.93931 156.9
[M-H]- 250.96887 152.9
[M+Na-2H]- 272.95082 157.5
[M]+ 251.97560 154.2
[M]- 251.97670 154.2
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.