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

40
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 133.4
[M+Na]+ 238.94782 147.4
[M-H]- 214.95132 139.4
[M+NH4]+ 233.99242 156.3
[M+K]+ 254.92176 136.2
[M+H-H2O]+ 198.95586 133.5
[M+HCOO]- 260.95680 155.1
[M+CH3COO]- 274.97245 185.9
[M+Na-2H]- 236.93327 140.6
[M]+ 215.95805 152.2
[M]- 215.95915 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