CID 3492378

5-phenyl-1,2,4-oxadiazol-3-yl n-(2-chloroethyl)carbamate

Structural Information

Molecular Formula
C11H10ClN3O3
SMILES
C1=CC=C(C=C1)C2=NC(=NO2)OC(=O)NCCCl
InChI
InChI=1S/C11H10ClN3O3/c12-6-7-13-11(16)17-10-14-9(18-15-10)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,13,16)
InChIKey
QSSFTMAZGZFMIV-UHFFFAOYSA-N
Compound name
(5-phenyl-1,2,4-oxadiazol-3-yl) N-(2-chloroethyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.04108 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.048356 156.1
[M+Na]+ 290.030298 164.5
[M-H]- 266.033804 160.9
[M+NH4]+ 285.074903 170.6
[M+K]+ 306.004238 161.9
[M+H-H2O]+ 250.038340 147.6
[M+HCOO]- 312.039281 174.8
[M+CH3COO]- 326.054931 192.9
[M+Na-2H]- 288.015746 161.8
[M]+ 267.04053142 160.8
[M]- 267.04162858 160.8
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

No patent data available for this compound.