CID 25490813

N-{[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]methyl}benzamide

Structural Information

Molecular Formula
C11H10ClN3O2
SMILES
C1=CC=C(C=C1)C(=O)NCC2=NOC(=N2)CCl
InChI
InChI=1S/C11H10ClN3O2/c12-6-10-14-9(15-17-10)7-13-11(16)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,13,16)
InChIKey
VISWIRVPZSVLRW-UHFFFAOYSA-N
Compound name
N-[[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.04616 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.05344 153.6
[M+Na]+ 274.03538 162.1
[M-H]- 250.03888 158.3
[M+NH4]+ 269.07998 168.7
[M+K]+ 290.00932 158.9
[M+H-H2O]+ 234.04342 145.2
[M+HCOO]- 296.04436 172.0
[M+CH3COO]- 310.06001 191.4
[M+Na-2H]- 272.02083 159.2
[M]+ 251.04561 157.0
[M]- 251.04671 157.0
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.