CID 53216894

5-bromo-2-fluoro-3-methylbenzaldehyde

Structural Information

Molecular Formula
C8H6BrFO
SMILES
CC1=CC(=CC(=C1F)C=O)Br
InChI
InChI=1S/C8H6BrFO/c1-5-2-7(9)3-6(4-11)8(5)10/h2-4H,1H3
InChIKey
JKHVNWUVFDFSAZ-UHFFFAOYSA-N
Compound name
5-bromo-2-fluoro-3-methylbenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

223
Patents

215.9586 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.965876 133.4
[M+Na]+ 238.947818 147.4
[M-H]- 214.951324 139.4
[M+NH4]+ 233.992423 156.3
[M+K]+ 254.921758 136.2
[M+H-H2O]+ 198.955860 133.5
[M+HCOO]- 260.956801 155.1
[M+CH3COO]- 274.972451 185.9
[M+Na-2H]- 236.933266 140.6
[M]+ 215.95805142 152.2
[M]- 215.95914858 152.2
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