CID 2779279

5-bromo-2-hydroxy-3-(trifluoromethoxy)benzaldehyde

Structural Information

Molecular Formula
C8H4BrF3O3
SMILES
C1=C(C=C(C(=C1C=O)O)OC(F)(F)F)Br
InChI
InChI=1S/C8H4BrF3O3/c9-5-1-4(3-13)7(14)6(2-5)15-8(10,11)12/h1-3,14H
InChIKey
FXZUAQHXJOLEJG-UHFFFAOYSA-N
Compound name
5-bromo-2-hydroxy-3-(trifluoromethoxy)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

283.9296 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.93688 149.4
[M+Na]+ 306.91882 162.9
[M-H]- 282.92232 151.4
[M+NH4]+ 301.96342 168.6
[M+K]+ 322.89276 151.3
[M+H-H2O]+ 266.92686 147.5
[M+HCOO]- 328.92780 166.3
[M+CH3COO]- 342.94345 192.2
[M+Na-2H]- 304.90427 155.0
[M]+ 283.92905 166.0
[M]- 283.93015 166.0
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

patents stripe