CID 174821

91112-66-2

Structural Information

Molecular Formula

C₆H₈BrClN₂O₂

SMILES

CCC1(C(=O)N(C(=O)N1Br)Cl)C

InChI

InChI=1S/C6H8BrClN2O2/c1-3-6(2)4(11)9(8)5(12)10(6)7/h3H2,1-2H3

InChIKey

KSCABRBCUQVNLJ-UHFFFAOYSA-N

Compound name

1-bromo-3-chloro-5-ethyl-5-methylimidazolidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 117
Patents: 253.94577 Da
Monoisotopic Mass: 1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	254.95305	136.8
[M+Na]+	276.93499	152.5
[M-H]-	252.93849	141.6
[M+NH4]+	271.97959	160.3
[M+K]+	292.90893	140.7
[M+H-H2O]+	236.94303	138.6
[M+HCOO]-	298.94397	151.9
[M+CH3COO]-	312.95962	188.9
[M+Na-2H]-	274.92044	142.2
[M]+	253.94522	157.9
[M]-	253.94632	157.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe