CID 736830

5-(chloromethyl)-3-(thiophen-2-yl)-1,2,4-oxadiazole

Structural Information

Molecular Formula
C7H5ClN2OS
SMILES
C1=CSC(=C1)C2=NOC(=N2)CCl
InChI
InChI=1S/C7H5ClN2OS/c8-4-6-9-7(10-11-6)5-2-1-3-12-5/h1-3H,4H2
InChIKey
YOUDLOUFERNGRO-UHFFFAOYSA-N
Compound name
5-(chloromethyl)-3-thiophen-2-yl-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

71
Patents

199.98111 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.98839 136.7
[M+Na]+ 222.97033 149.8
[M-H]- 198.97383 143.1
[M+NH4]+ 218.01493 157.4
[M+K]+ 238.94427 147.2
[M+H-H2O]+ 182.97837 130.9
[M+HCOO]- 244.97931 153.5
[M+CH3COO]- 258.99496 152.0
[M+Na-2H]- 220.95578 139.7
[M]+ 199.98056 143.8
[M]- 199.98166 143.8
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

patents stripe