CID 13672274

1-(2-bromoethoxy)-4-(trifluoromethoxy)benzene

Structural Information

Molecular Formula
C9H8BrF3O2
SMILES
C1=CC(=CC=C1OCCBr)OC(F)(F)F
InChI
InChI=1S/C9H8BrF3O2/c10-5-6-14-7-1-3-8(4-2-7)15-9(11,12)13/h1-4H,5-6H2
InChIKey
QESONWISJWXHAA-UHFFFAOYSA-N
Compound name
1-(2-bromoethoxy)-4-(trifluoromethoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

283.96597 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.973246 153.7
[M+Na]+ 306.955188 165.6
[M-H]- 282.958694 156.3
[M+NH4]+ 301.999793 173.3
[M+K]+ 322.929128 154.6
[M+H-H2O]+ 266.963230 151.4
[M+HCOO]- 328.964171 171.5
[M+CH3COO]- 342.979821 194.2
[M+Na-2H]- 304.940636 160.4
[M]+ 283.96542142 171.2
[M]- 283.96651858 171.2
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

patents stripe