CID 2773967

2,4-dibromo-6-fluorobenzaldehyde

Structural Information

Molecular Formula
C7H3Br2FO
SMILES
C1=C(C=C(C(=C1F)C=O)Br)Br
InChI
InChI=1S/C7H3Br2FO/c8-4-1-6(9)5(3-11)7(10)2-4/h1-3H
InChIKey
NPIPUNOMXYMQHZ-UHFFFAOYSA-N
Compound name
2,4-dibromo-6-fluorobenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

279.8535 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.86078 133.6
[M+Na]+ 302.84272 146.4
[M-H]- 278.84622 140.1
[M+NH4]+ 297.88732 153.8
[M+K]+ 318.81666 130.9
[M+H-H2O]+ 262.85076 141.6
[M+HCOO]- 324.85170 150.2
[M+CH3COO]- 338.86735 200.9
[M+Na-2H]- 300.82817 140.9
[M]+ 279.85295 167.4
[M]- 279.85405 167.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe