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

27
Patents

285.92526 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.932536 149.9
[M+Na]+ 308.914478 164.1
[M-H]- 284.917984 152.1
[M+NH4]+ 303.959083 169.7
[M+K]+ 324.888418 152.5
[M+H-H2O]+ 268.922520 147.2
[M+HCOO]- 330.923461 167.1
[M+CH3COO]- 344.939111 195.4
[M+Na-2H]- 306.899926 155.3
[M]+ 285.92471142 165.7
[M]- 285.92580858 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