CID 104632656

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

Structural Information

Molecular Formula
C3HBrF2N2O
SMILES
C1(=NC(=NO1)Br)C(F)F
InChI
InChI=1S/C3HBrF2N2O/c4-3-7-2(1(5)6)9-8-3/h1H
InChIKey
OGOIIWMNXGCOMS-UHFFFAOYSA-N
Compound name
3-bromo-5-(difluoromethyl)-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.92403 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.931306 127.9
[M+Na]+ 220.913248 141.8
[M-H]- 196.916754 130.5
[M+NH4]+ 215.957853 148.8
[M+K]+ 236.887188 133.3
[M+H-H2O]+ 180.921290 126.2
[M+HCOO]- 242.922231 146.6
[M+CH3COO]- 256.937881 179.0
[M+Na-2H]- 218.898696 135.5
[M]+ 197.92348142 145.5
[M]- 197.92457858 145.5
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.