CID 522340

1-chloro-5,5-dimethylhydantoin

Structural Information

Molecular Formula
C5H7ClN2O2
SMILES
CC1(C(=O)NC(=O)N1Cl)C
InChI
InChI=1S/C5H7ClN2O2/c1-5(2)3(9)7-4(10)8(5)6/h1-2H3,(H,7,9,10)
InChIKey
UWMJRBYGKZOPCC-UHFFFAOYSA-N
Compound name
1-chloro-5,5-dimethylimidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

847
Patents

162.0196 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.02688 127.3
[M+Na]+ 185.00882 138.7
[M-H]- 161.01232 127.6
[M+NH4]+ 180.05342 149.8
[M+K]+ 200.98276 135.4
[M+H-H2O]+ 145.01686 123.3
[M+HCOO]- 207.01780 143.1
[M+CH3COO]- 221.03345 172.0
[M+Na-2H]- 182.99427 131.6
[M]+ 162.01905 127.2
[M]- 162.02015 127.2
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