CID 26599201

5-bromo-2-(trifluoromethoxy)benzaldehyde

Structural Information

Molecular Formula
C8H4BrF3O2
SMILES
C1=CC(=C(C=C1Br)C=O)OC(F)(F)F
InChI
InChI=1S/C8H4BrF3O2/c9-6-1-2-7(5(3-6)4-13)14-8(10,11)12/h1-4H
InChIKey
IBEWLWBZTHFCPI-UHFFFAOYSA-N
Compound name
5-bromo-2-(trifluoromethoxy)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

75
Patents

267.9347 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.94198 146.5
[M+Na]+ 290.92392 160.0
[M-H]- 266.92742 149.7
[M+NH4]+ 285.96852 167.0
[M+K]+ 306.89786 148.7
[M+H-H2O]+ 250.93196 144.7
[M+HCOO]- 312.93290 164.9
[M+CH3COO]- 326.94855 191.6
[M+Na-2H]- 288.90937 153.3
[M]+ 267.93415 163.4
[M]- 267.93525 163.4
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