CID 72206875

5-bromo-2,4-difluoro-3-methylbenzaldehyde

Structural Information

Molecular Formula
C8H5BrF2O
SMILES
CC1=C(C(=CC(=C1F)Br)C=O)F
InChI
InChI=1S/C8H5BrF2O/c1-4-7(10)5(3-12)2-6(9)8(4)11/h2-3H,1H3
InChIKey
WTFZCNWVXZOGRC-UHFFFAOYSA-N
Compound name
5-bromo-2,4-difluoro-3-methylbenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.94917 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.95645 136.6
[M+Na]+ 256.93839 151.4
[M-H]- 232.94189 141.6
[M+NH4]+ 251.98299 159.0
[M+K]+ 272.91233 139.8
[M+H-H2O]+ 216.94643 135.9
[M+HCOO]- 278.94737 157.3
[M+CH3COO]- 292.96302 189.6
[M+Na-2H]- 254.92384 142.4
[M]+ 233.94862 154.6
[M]- 233.94972 154.6
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

No patent data available for this compound.