CID 10214807

6-bromo-2-fluoro-3-(trifluoromethoxy)benzaldehyde

Structural Information

Molecular Formula
C8H3BrF4O2
SMILES
C1=CC(=C(C(=C1OC(F)(F)F)F)C=O)Br
InChI
InChI=1S/C8H3BrF4O2/c9-5-1-2-6(15-8(11,12)13)7(10)4(5)3-14/h1-3H
InChIKey
VSTDYIZPPQVQTF-UHFFFAOYSA-N
Compound name
6-bromo-2-fluoro-3-(trifluoromethoxy)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

285.92526 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.93254 149.9
[M+Na]+ 308.91448 164.1
[M-H]- 284.91798 152.1
[M+NH4]+ 303.95908 169.7
[M+K]+ 324.88842 152.5
[M+H-H2O]+ 268.92252 147.2
[M+HCOO]- 330.92346 167.1
[M+CH3COO]- 344.93911 195.4
[M+Na-2H]- 306.89993 155.3
[M]+ 285.92471 165.7
[M]- 285.92581 165.7
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