CID 50997879

3-bromo-2,4,6-trifluorobenzaldehyde

Structural Information

Molecular Formula
C7H2BrF3O
SMILES
C1=C(C(=C(C(=C1F)Br)F)C=O)F
InChI
InChI=1S/C7H2BrF3O/c8-6-5(10)1-4(9)3(2-12)7(6)11/h1-2H
InChIKey
AEHFGAMDSYBTDJ-UHFFFAOYSA-N
Compound name
3-bromo-2,4,6-trifluorobenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

237.9241 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.93138 136.0
[M+Na]+ 260.91332 151.2
[M-H]- 236.91682 139.8
[M+NH4]+ 255.95792 158.1
[M+K]+ 276.88726 139.4
[M+H-H2O]+ 220.92136 134.5
[M+HCOO]- 282.92230 155.9
[M+CH3COO]- 296.93795 189.4
[M+Na-2H]- 258.89877 141.6
[M]+ 237.92355 152.4
[M]- 237.92465 152.4
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