CID 73553478

2,3-dibromo-6-fluorobenzaldehyde

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
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

No literature data available for this compound.

Patent stripe

patents stripe