CID 56274

Af 687

Structural Information

Molecular Formula
C10H8ClN3O3
SMILES
C1=CC(=CC=C1C2=NOC(=N2)COC(=O)N)Cl
InChI
InChI=1S/C10H8ClN3O3/c11-7-3-1-6(2-4-7)9-13-8(17-14-9)5-16-10(12)15/h1-4H,5H2,(H2,12,15)
InChIKey
ZMJOIEJJOQLCNY-UHFFFAOYSA-N
Compound name
[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.02542 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.03270 151.9
[M+Na]+ 276.01464 161.7
[M-H]- 252.01814 156.8
[M+NH4]+ 271.05924 167.0
[M+K]+ 291.98858 159.0
[M+H-H2O]+ 236.02268 144.1
[M+HCOO]- 298.02362 170.4
[M+CH3COO]- 312.03927 191.2
[M+Na-2H]- 274.00009 156.5
[M]+ 253.02487 155.9
[M]- 253.02597 155.9
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.