CID 59299457

3-bromo-6-chloro-2-fluorobenzaldehyde

Structural Information

Molecular Formula
C7H3BrClFO
SMILES
C1=CC(=C(C(=C1Cl)C=O)F)Br
InChI
InChI=1S/C7H3BrClFO/c8-5-1-2-6(9)4(3-11)7(5)10/h1-3H
InChIKey
WFFSWRXTSBYYKP-UHFFFAOYSA-N
Compound name
3-bromo-6-chloro-2-fluorobenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

207
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

literature stripe

Patent stripe

patents stripe