CID 22929647

1-(2-bromoethyl)-3-(trifluoromethoxy)benzene

Structural Information

Molecular Formula
C9H8BrF3O
SMILES
C1=CC(=CC(=C1)OC(F)(F)F)CCBr
InChI
InChI=1S/C9H8BrF3O/c10-5-4-7-2-1-3-8(6-7)14-9(11,12)13/h1-3,6H,4-5H2
InChIKey
RZHWLCIKYSVRGJ-UHFFFAOYSA-N
Compound name
1-(2-bromoethyl)-3-(trifluoromethoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

267.97107 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.97835 158.9
[M+Na]+ 290.96029 160.3
[M+NH4]+ 286.00489 161.8
[M+K]+ 306.93423 159.4
[M-H]- 266.96379 155.4
[M+Na-2H]- 288.94574 160.2
[M]+ 267.97052 156.9
[M]- 267.97162 156.9
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