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
1
Annotation Hits

1
References

954
Patents

239.93976 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.94704 141.3
[M+Na]+ 262.92898 154.2
[M-H]- 238.93248 144.4
[M+NH4]+ 257.97358 162.7
[M+K]+ 278.90292 143.3
[M+H-H2O]+ 222.93702 139.8
[M+HCOO]- 284.93796 159.6
[M+CH3COO]- 298.95361 186.7
[M+Na-2H]- 260.91443 149.2
[M]+ 239.93921 156.8
[M]- 239.94031 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