CID 2748716

2-(chloromethyl)-1,3,4-oxadiazole

Structural Information

Molecular Formula
C3H3ClN2O
SMILES
C1=NN=C(O1)CCl
InChI
InChI=1S/C3H3ClN2O/c4-1-3-6-5-2-7-3/h2H,1H2
InChIKey
BQGOXMFAGHVQDF-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

71
Patents

117.99339 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.00067 116.1
[M+Na]+ 140.98261 126.6
[M-H]- 116.98611 117.7
[M+NH4]+ 136.02721 137.1
[M+K]+ 156.95655 126.0
[M+H-H2O]+ 100.99065 110.1
[M+HCOO]- 162.99159 135.2
[M+CH3COO]- 177.00724 164.6
[M+Na-2H]- 138.96806 125.3
[M]+ 117.99284 119.1
[M]- 117.99394 119.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe