CID 175375

Dibromomalonamide

Structural Information

Molecular Formula
C3H4Br2N2O2
SMILES
C(=O)(C(C(=O)N)(Br)Br)N
InChI
InChI=1S/C3H4Br2N2O2/c4-3(5,1(6)8)2(7)9/h(H2,6,8)(H2,7,9)
InChIKey
SWHQVMGRXIYDSF-UHFFFAOYSA-N
Compound name
2,2-dibromopropanediamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

212
Patents

257.86395 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.87123 136.6
[M+Na]+ 280.85317 145.8
[M-H]- 256.85667 139.6
[M+NH4]+ 275.89777 155.0
[M+K]+ 296.82711 129.6
[M+H-H2O]+ 240.86121 142.2
[M+HCOO]- 302.86215 151.0
[M+CH3COO]- 316.87780 199.5
[M+Na-2H]- 278.83862 141.7
[M]+ 257.86340 166.2
[M]- 257.86450 166.2
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