CID 86276518

4-bromo-3-chloro-2-fluorobenzaldehyde

Structural Information

Molecular Formula
C7H3BrClFO
SMILES
C1=CC(=C(C(=C1C=O)F)Cl)Br
InChI
InChI=1S/C7H3BrClFO/c8-5-2-1-4(3-11)7(10)6(5)9/h1-3H
InChIKey
WHSKLGAULKIGTA-UHFFFAOYSA-N
Compound name
4-bromo-3-chloro-2-fluorobenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

84
Patents

235.90398 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.91126 133.5
[M+Na]+ 258.89320 148.9
[M-H]- 234.89670 139.5
[M+NH4]+ 253.93780 156.5
[M+K]+ 274.86714 135.9
[M+H-H2O]+ 218.90124 134.6
[M+HCOO]- 280.90218 151.3
[M+CH3COO]- 294.91783 186.7
[M+Na-2H]- 256.87865 141.0
[M]+ 235.90343 153.8
[M]- 235.90453 153.8
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