CID 9863943

17497-85-7

Structural Information

Molecular Formula
C3Br3N3O3
SMILES
C1(=O)N(C(=O)N(C(=O)N1Br)Br)Br
InChI
InChI=1S/C3Br3N3O3/c4-7-1(10)8(5)3(12)9(6)2(7)11
InChIKey
ZKWDCFPLNQTHSH-UHFFFAOYSA-N
Compound name
1,3,5-tribromo-1,3,5-triazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

2292
Patents

362.749 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.75628 114.5
[M+Na]+ 385.73822 125.4
[M-H]- 361.74172 119.0
[M+NH4]+ 380.78282 127.8
[M+K]+ 401.71216 110.6
[M+H-H2O]+ 345.74626 129.7
[M+HCOO]- 407.74720 125.3
[M+CH3COO]- 421.76285 219.1
[M+Na-2H]- 383.72367 122.8
[M]+ 362.74845 157.3
[M]- 362.74955 157.3
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