CID 3826620

2-(chloromethyl)-5-methyl-1,3,4-oxadiazole

Structural Information

Molecular Formula
C4H5ClN2O
SMILES
CC1=NN=C(O1)CCl
InChI
InChI=1S/C4H5ClN2O/c1-3-6-7-4(2-5)8-3/h2H2,1H3
InChIKey
KJLQSWULHSLSOM-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-5-methyl-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

444
Patents

132.00903 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.01631 120.5
[M+Na]+ 154.99825 134.1
[M+NH4]+ 150.04285 129.1
[M+K]+ 170.97219 130.1
[M-H]- 131.00175 122.3
[M+Na-2H]- 152.98370 126.7
[M]+ 132.00848 123.2
[M]- 132.00958 123.2
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