CID 59656682

4-bromo-2,6-difluorobenzamide

Structural Information

Molecular Formula
C7H4BrF2NO
SMILES
C1=C(C=C(C(=C1F)C(=O)N)F)Br
InChI
InChI=1S/C7H4BrF2NO/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2H,(H2,11,12)
InChIKey
VYGSRKKGNFFTNB-UHFFFAOYSA-N
Compound name
4-bromo-2,6-difluorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

234.94443 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.95171 139.0
[M+Na]+ 257.93365 151.9
[M-H]- 233.93715 143.0
[M+NH4]+ 252.97825 160.1
[M+K]+ 273.90759 140.2
[M+H-H2O]+ 217.94169 137.2
[M+HCOO]- 279.94263 159.1
[M+CH3COO]- 293.95828 190.4
[M+Na-2H]- 255.91910 143.6
[M]+ 234.94388 153.8
[M]- 234.94498 153.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe