CID 131278823

4-bromo-2-hydroxy-6-(trifluoromethyl)benzaldehyde

Structural Information

Molecular Formula
C8H4BrF3O2
SMILES
C1=C(C=C(C(=C1C(F)(F)F)C=O)O)Br
InChI
InChI=1S/C8H4BrF3O2/c9-4-1-6(8(10,11)12)5(3-13)7(14)2-4/h1-3,14H
InChIKey
JLQSFHMZZDZTEA-UHFFFAOYSA-N
Compound name
4-bromo-2-hydroxy-6-(trifluoromethyl)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.9347 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.94198 146.7
[M+Na]+ 290.92392 160.5
[M-H]- 266.92742 148.9
[M+NH4]+ 285.96852 166.7
[M+K]+ 306.89786 148.3
[M+H-H2O]+ 250.93196 145.2
[M+HCOO]- 312.93290 163.5
[M+CH3COO]- 326.94855 190.3
[M+Na-2H]- 288.90937 152.3
[M]+ 267.93415 162.0
[M]- 267.93525 162.0
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

No patent data available for this compound.