CID 388169

Nsc682733

Structural Information

Molecular Formula
C10H8ClN3O3
SMILES
CC(=O)N1C(=O)N(C(=O)N1)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C10H8ClN3O3/c1-6(15)14-10(17)13(9(16)12-14)8-4-2-7(11)3-5-8/h2-5H,1H3,(H,12,16)
InChIKey
VGBSUKYPBPHIOY-UHFFFAOYSA-N
Compound name
1-acetyl-4-(4-chlorophenyl)-1,2,4-triazolidine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

253.02542 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.03270 149.6
[M+Na]+ 276.01464 162.1
[M-H]- 252.01814 152.5
[M+NH4]+ 271.05924 165.0
[M+K]+ 291.98858 156.7
[M+H-H2O]+ 236.02268 142.1
[M+HCOO]- 298.02362 166.0
[M+CH3COO]- 312.03927 188.2
[M+Na-2H]- 274.00009 152.1
[M]+ 253.02487 152.6
[M]- 253.02597 152.6
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