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

367
Patents

257.86395 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.871226 136.6
[M+Na]+ 280.853168 145.8
[M-H]- 256.856674 139.6
[M+NH4]+ 275.897773 155.0
[M+K]+ 296.827108 129.6
[M+H-H2O]+ 240.861210 142.2
[M+HCOO]- 302.862151 151.0
[M+CH3COO]- 316.877801 199.5
[M+Na-2H]- 278.838616 141.7
[M]+ 257.86340142 166.2
[M]- 257.86449858 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