CID 107640380

1696373-80-4

Structural Information

Molecular Formula
C11H11BrN2O2
SMILES
CC1=C(C=CC=C1Br)N2CCC(=O)NC2=O
InChI
InChI=1S/C11H11BrN2O2/c1-7-8(12)3-2-4-9(7)14-6-5-10(15)13-11(14)16/h2-4H,5-6H2,1H3,(H,13,15,16)
InChIKey
KCDHFJPBJQDAMY-UHFFFAOYSA-N
Compound name
1-(3-bromo-2-methylphenyl)-1,3-diazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.0004 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.00768 152.7
[M+Na]+ 304.98962 164.0
[M-H]- 280.99312 158.2
[M+NH4]+ 300.03422 169.3
[M+K]+ 320.96356 151.8
[M+H-H2O]+ 264.99766 151.5
[M+HCOO]- 326.99860 168.3
[M+CH3COO]- 341.01425 193.7
[M+Na-2H]- 302.97507 157.3
[M]+ 281.99985 167.7
[M]- 282.00095 167.7
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

No patent data available for this compound.