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]+ 198.93131 127.9
[M+Na]+ 220.91325 141.8
[M-H]- 196.91675 130.5
[M+NH4]+ 215.95785 148.8
[M+K]+ 236.88719 133.3
[M+H-H2O]+ 180.92129 126.2
[M+HCOO]- 242.92223 146.6
[M+CH3COO]- 256.93788 179.0
[M+Na-2H]- 218.89870 135.5
[M]+ 197.92348 145.5
[M]- 197.92458 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.