CID 24705331

1-bromo-3-(2,2,2-trifluoroethoxy)benzene

Structural Information

Molecular Formula
C8H6BrF3O
SMILES
C1=CC(=CC(=C1)Br)OCC(F)(F)F
InChI
InChI=1S/C8H6BrF3O/c9-6-2-1-3-7(4-6)13-5-8(10,11)12/h1-4H,5H2
InChIKey
DMRXIXTWYWJIPR-UHFFFAOYSA-N
Compound name
1-bromo-3-(2,2,2-trifluoroethoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

83
Patents

253.95541 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.962686 146.1
[M+Na]+ 276.944628 158.6
[M-H]- 252.948134 149.0
[M+NH4]+ 271.989233 167.0
[M+K]+ 292.918568 147.4
[M+H-H2O]+ 236.952670 144.4
[M+HCOO]- 298.953611 164.1
[M+CH3COO]- 312.969261 189.6
[M+Na-2H]- 274.930076 153.4
[M]+ 253.95486142 161.9
[M]- 253.95595858 161.9
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