CID 22489081

4-bromo-2,5-difluorobenzaldehyde

Structural Information

Molecular Formula
C7H3BrF2O
SMILES
C1=C(C(=CC(=C1F)Br)F)C=O
InChI
InChI=1S/C7H3BrF2O/c8-5-2-6(9)4(3-11)1-7(5)10/h1-3H
InChIKey
PDRHYPUKWIHZMP-UHFFFAOYSA-N
Compound name
4-bromo-2,5-difluorobenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

205
Patents

219.93353 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.94081 132.8
[M+Na]+ 242.92275 147.1
[M-H]- 218.92625 137.6
[M+NH4]+ 237.96735 155.4
[M+K]+ 258.89669 135.8
[M+H-H2O]+ 202.93079 132.1
[M+HCOO]- 264.93173 153.8
[M+CH3COO]- 278.94738 185.7
[M+Na-2H]- 240.90820 139.8
[M]+ 219.93298 150.1
[M]- 219.93408 150.1
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