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

57
Patents

283.96597 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.97325 153.7
[M+Na]+ 306.95519 165.6
[M-H]- 282.95869 156.3
[M+NH4]+ 301.99979 173.3
[M+K]+ 322.92913 154.6
[M+H-H2O]+ 266.96323 151.4
[M+HCOO]- 328.96417 171.5
[M+CH3COO]- 342.97982 194.2
[M+Na-2H]- 304.94064 160.4
[M]+ 283.96542 171.2
[M]- 283.96652 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