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]+ 268.04836 156.1
[M+Na]+ 290.03030 164.5
[M-H]- 266.03380 160.9
[M+NH4]+ 285.07490 170.6
[M+K]+ 306.00424 161.9
[M+H-H2O]+ 250.03834 147.6
[M+HCOO]- 312.03928 174.8
[M+CH3COO]- 326.05493 192.9
[M+Na-2H]- 288.01575 161.8
[M]+ 267.04053 160.8
[M]- 267.04163 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.