CID 134499116

5-bromo-2-methoxy-4-(trifluoromethoxy)benzaldehyde

Structural Information

Molecular Formula
C9H6BrF3O3
SMILES
COC1=CC(=C(C=C1C=O)Br)OC(F)(F)F
InChI
InChI=1S/C9H6BrF3O3/c1-15-7-3-8(16-9(11,12)13)6(10)2-5(7)4-14/h2-4H,1H3
InChIKey
YHQNBZQLYKJHRC-UHFFFAOYSA-N
Compound name
5-bromo-2-methoxy-4-(trifluoromethoxy)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

297.94525 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.952526 153.2
[M+Na]+ 320.934468 166.8
[M-H]- 296.937974 156.5
[M+NH4]+ 315.979073 172.6
[M+K]+ 336.908408 155.9
[M+H-H2O]+ 280.942510 151.0
[M+HCOO]- 342.943451 171.3
[M+CH3COO]- 356.959101 197.4
[M+Na-2H]- 318.919916 158.9
[M]+ 297.94470142 172.0
[M]- 297.94579858 172.0
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