CID 168228998

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

Structural Information

Molecular Formula
C8H3BrClF3O2
SMILES
C1=CC(=C(C(=C1OC(F)(F)F)C=O)Cl)Br
InChI
InChI=1S/C8H3BrClF3O2/c9-5-1-2-6(15-8(11,12)13)4(3-14)7(5)10/h1-3H
InChIKey
YVXFCEBZJYDBQV-UHFFFAOYSA-N
Compound name
3-bromo-2-chloro-6-(trifluoromethoxy)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

301.8957 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.90298 149.5
[M+Na]+ 324.88492 164.8
[M-H]- 300.88842 153.0
[M+NH4]+ 319.92952 169.9
[M+K]+ 340.85886 151.5
[M+H-H2O]+ 284.89296 148.7
[M+HCOO]- 346.89390 163.6
[M+CH3COO]- 360.90955 196.2
[M+Na-2H]- 322.87037 155.5
[M]+ 301.89515 168.6
[M]- 301.89625 168.6
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