CID 121602096

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

Structural Information

Molecular Formula
C4H3ClF2N2O
SMILES
C(C1=NOC(=N1)C(F)F)Cl
InChI
InChI=1S/C4H3ClF2N2O/c5-1-2-8-4(3(6)7)10-9-2/h3H,1H2
InChIKey
IMLAFXQBEGGVOP-UHFFFAOYSA-N
Compound name
3-(chloromethyl)-5-(difluoromethyl)-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.9902 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.99748 124.5
[M+Na]+ 190.97942 135.3
[M-H]- 166.98292 123.6
[M+NH4]+ 186.02402 143.6
[M+K]+ 206.95336 133.8
[M+H-H2O]+ 150.98746 116.7
[M+HCOO]- 212.98840 140.2
[M+CH3COO]- 227.00405 175.0
[M+Na-2H]- 188.96487 130.1
[M]+ 167.98965 125.4
[M]- 167.99075 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.