CID 21986246

3-bromo-5-fluorobenzaldehyde

Structural Information

Molecular Formula
C7H4BrFO
SMILES
C1=C(C=C(C=C1F)Br)C=O
InChI
InChI=1S/C7H4BrFO/c8-6-1-5(4-10)2-7(9)3-6/h1-4H
InChIKey
MEFQRXHVMJPOKZ-UHFFFAOYSA-N
Compound name
3-bromo-5-fluorobenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

825
Patents

201.94296 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.95024 129.6
[M+Na]+ 224.93218 143.1
[M-H]- 200.93568 135.4
[M+NH4]+ 219.97678 152.7
[M+K]+ 240.90612 132.2
[M+H-H2O]+ 184.94022 129.7
[M+HCOO]- 246.94116 151.7
[M+CH3COO]- 260.95681 182.0
[M+Na-2H]- 222.91763 137.9
[M]+ 201.94241 147.7
[M]- 201.94351 147.7
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