CID 3041380

1,3,4-oxadiazole-2-methanol, 5-(3,4-dichlorophenyl)-, carbamate (ester)

Structural Information

Molecular Formula
C10H7Cl2N3O3
SMILES
C1=CC(=C(C=C1C2=NN=C(O2)COC(=O)N)Cl)Cl
InChI
InChI=1S/C10H7Cl2N3O3/c11-6-2-1-5(3-7(6)12)9-15-14-8(18-9)4-17-10(13)16/h1-3H,4H2,(H2,13,16)
InChIKey
MRFMWROFNYCKGD-UHFFFAOYSA-N
Compound name
[5-(3,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methyl carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.98645 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.99373 158.4
[M+Na]+ 309.97567 169.2
[M-H]- 285.97917 162.8
[M+NH4]+ 305.02027 172.7
[M+K]+ 325.94961 165.3
[M+H-H2O]+ 269.98371 151.1
[M+HCOO]- 331.98465 171.5
[M+CH3COO]- 346.00030 196.9
[M+Na-2H]- 307.96112 161.3
[M]+ 286.98590 163.7
[M]- 286.98700 163.7
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.