CID 86662403

3-bromo-2-fluoro-4-iodobenzaldehyde

Structural Information

Molecular Formula
C7H3BrFIO
SMILES
C1=CC(=C(C(=C1C=O)F)Br)I
InChI
InChI=1S/C7H3BrFIO/c8-6-5(10)2-1-4(3-11)7(6)9/h1-3H
InChIKey
GGKIEMZALLENNW-UHFFFAOYSA-N
Compound name
3-bromo-2-fluoro-4-iodobenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

327.8396 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.84688 141.2
[M+Na]+ 350.82882 148.2
[M-H]- 326.83232 140.4
[M+NH4]+ 345.87342 158.9
[M+K]+ 366.80276 143.0
[M+H-H2O]+ 310.83686 137.6
[M+HCOO]- 372.83780 158.2
[M+CH3COO]- 386.85345 193.8
[M+Na-2H]- 348.81427 137.0
[M]+ 327.83905 156.3
[M]- 327.84015 156.3
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