CID 84785017

3-bromo-6-fluoro-2-methylbenzaldehyde

Structural Information

Molecular Formula
C8H6BrFO
SMILES
CC1=C(C=CC(=C1C=O)F)Br
InChI
InChI=1S/C8H6BrFO/c1-5-6(4-11)8(10)3-2-7(5)9/h2-4H,1H3
InChIKey
XXNWYNYTRIRTOX-UHFFFAOYSA-N
Compound name
3-bromo-6-fluoro-2-methylbenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

215.9586 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.96588 137.7
[M+Na]+ 238.94782 142.0
[M+NH4]+ 233.99242 142.6
[M+K]+ 254.92176 141.2
[M-H]- 214.95132 137.6
[M+Na-2H]- 236.93327 141.3
[M]+ 215.95805 137.1
[M]- 215.95915 137.1
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