CID 57527288

4-bromo-2-fluoro-5-methoxybenzaldehyde

Structural Information

Molecular Formula
C8H6BrFO2
SMILES
COC1=C(C=C(C(=C1)C=O)F)Br
InChI
InChI=1S/C8H6BrFO2/c1-12-8-2-5(4-11)7(10)3-6(8)9/h2-4H,1H3
InChIKey
TWHBNRXZMJJLJO-UHFFFAOYSA-N
Compound name
4-bromo-2-fluoro-5-methoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

157
Patents

231.95352 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.96080 141.2
[M+Na]+ 254.94274 145.0
[M+NH4]+ 249.98734 145.5
[M+K]+ 270.91668 144.6
[M-H]- 230.94624 140.5
[M+Na-2H]- 252.92819 144.2
[M]+ 231.95297 140.3
[M]- 231.95407 140.3
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