CID 70700276

2-bromo-3-(trifluoromethyl)benzaldehyde

Structural Information

Molecular Formula
C8H4BrF3O
SMILES
C1=CC(=C(C(=C1)C(F)(F)F)Br)C=O
InChI
InChI=1S/C8H4BrF3O/c9-7-5(4-13)2-1-3-6(7)8(10,11)12/h1-4H
InChIKey
OAQHJQAZSSRUQA-UHFFFAOYSA-N
Compound name
2-bromo-3-(trifluoromethyl)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

251.93976 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.94704 153.9
[M+Na]+ 274.92898 155.8
[M+NH4]+ 269.97358 156.7
[M+K]+ 290.90292 155.2
[M-H]- 250.93248 150.3
[M+Na-2H]- 272.91443 155.2
[M]+ 251.93921 151.9
[M]- 251.94031 151.9
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