CID 69683

4-bromobenzamide

Structural Information

Molecular Formula
C7H6BrNO
SMILES
C1=CC(=CC=C1C(=O)N)Br
InChI
InChI=1S/C7H6BrNO/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H2,9,10)
InChIKey
ZRWNRAJCPNLYAK-UHFFFAOYSA-N
Compound name
4-bromobenzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

6185
Patents

198.96329 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.97057 132.4
[M+Na]+ 221.95251 143.7
[M-H]- 197.95601 138.5
[M+NH4]+ 216.99711 154.6
[M+K]+ 237.92645 132.8
[M+H-H2O]+ 181.96055 132.3
[M+HCOO]- 243.96149 154.7
[M+CH3COO]- 257.97714 183.0
[M+Na-2H]- 219.93796 139.8
[M]+ 198.96274 148.8
[M]- 198.96384 148.8
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