CID 519964

1-bromo-3-(trifluoromethoxy)benzene

Structural Information

Molecular Formula
C7H4BrF3O
SMILES
C1=CC(=CC(=C1)Br)OC(F)(F)F
InChI
InChI=1S/C7H4BrF3O/c8-5-2-1-3-6(4-5)12-7(9,10)11/h1-4H
InChIKey
WVUDHWBCPSXAFN-UHFFFAOYSA-N
Compound name
1-bromo-3-(trifluoromethoxy)benzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

1046
Patents

239.93976 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.947036 141.3
[M+Na]+ 262.928978 154.2
[M-H]- 238.932484 144.4
[M+NH4]+ 257.973583 162.7
[M+K]+ 278.902918 143.3
[M+H-H2O]+ 222.937020 139.8
[M+HCOO]- 284.937961 159.6
[M+CH3COO]- 298.953611 186.7
[M+Na-2H]- 260.914426 149.2
[M]+ 239.93921142 156.8
[M]- 239.94030858 156.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe