CID 43164902

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

Structural Information

Molecular Formula
C4H3ClF2N2O
SMILES
C(C1=NN=C(O1)C(F)F)Cl
InChI
InChI=1S/C4H3ClF2N2O/c5-1-2-8-9-4(10-2)3(6)7/h3H,1H2
InChIKey
VLZBRJVCZXWMIR-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-5-(difluoromethyl)-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.9902 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.997476 124.5
[M+Na]+ 190.979418 135.3
[M-H]- 166.982924 123.6
[M+NH4]+ 186.024023 143.6
[M+K]+ 206.953358 133.8
[M+H-H2O]+ 150.987460 116.7
[M+HCOO]- 212.988401 140.2
[M+CH3COO]- 227.004051 175.0
[M+Na-2H]- 188.964866 130.1
[M]+ 167.98965142 125.4
[M]- 167.99074858 125.4
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.