CID 83381808

1-bromo-3-(1,1,1-trifluoropropan-2-yl)benzene

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.97615 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.98343 154.6
[M+Na]+ 274.96537 156.2
[M+NH4]+ 270.00997 158.0
[M+K]+ 290.93931 155.7
[M-H]- 250.96887 151.5
[M+Na-2H]- 272.95082 156.2
[M]+ 251.97560 152.8
[M]- 251.97670 152.8
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.