CID 23320409

3-(chloromethyl)-1,2,5-oxadiazole

Structural Information

Molecular Formula
C3H3ClN2O
SMILES
C1=NON=C1CCl
InChI
InChI=1S/C3H3ClN2O/c4-1-3-2-5-7-6-3/h2H,1H2
InChIKey
ZZGBZPXRHQXBFV-UHFFFAOYSA-N
Compound name
3-(chloromethyl)-1,2,5-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
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

No literature data available for this compound.

Patent stripe

patents stripe