CID 10081484

2-amino-3-bromobenzaldehyde

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

88
Patents

198.96329 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.97057 131.1
[M+Na]+ 221.95251 143.5
[M-H]- 197.95601 137.5
[M+NH4]+ 216.99711 153.6
[M+K]+ 237.92645 132.2
[M+H-H2O]+ 181.96055 131.1
[M+HCOO]- 243.96149 154.3
[M+CH3COO]- 257.97714 183.3
[M+Na-2H]- 219.93796 139.1
[M]+ 198.96274 148.5
[M]- 198.96384 148.5
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