CID 9877851

6-bromo-2,3-difluorobenzaldehyde

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

151
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

literature stripe

Patent stripe

patents stripe