CID 3017253

61336-91-2

Structural Information

Molecular Formula
C9H8ClN3O3
SMILES
C1CN(C(=O)N1C(=O)Cl)N=CC2=CC=CO2
InChI
InChI=1S/C9H8ClN3O3/c10-8(14)12-3-4-13(9(12)15)11-6-7-2-1-5-16-7/h1-2,5-6H,3-4H2
InChIKey
ZWXXVWSSKFZMOJ-UHFFFAOYSA-N
Compound name
3-(furan-2-ylmethylideneamino)-2-oxoimidazolidine-1-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

241.02542 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.032696 151.1
[M+Na]+ 264.014638 160.0
[M-H]- 240.018144 157.4
[M+NH4]+ 259.059243 169.1
[M+K]+ 279.988578 158.3
[M+H-H2O]+ 224.022680 143.8
[M+HCOO]- 286.023621 170.1
[M+CH3COO]- 300.039271 190.0
[M+Na-2H]- 262.000086 153.0
[M]+ 241.02487142 153.8
[M]- 241.02596858 153.8
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