CID 102924349

2-iodo-5-(trifluoromethyl)-1,3,4-oxadiazole

Structural Information

Molecular Formula
C3F3IN2O
SMILES
C1(=NN=C(O1)I)C(F)(F)F
InChI
InChI=1S/C3F3IN2O/c4-3(5,6)1-8-9-2(7)10-1
InChIKey
HZVCTVJSLMLVDW-UHFFFAOYSA-N
Compound name
2-iodo-5-(trifluoromethyl)-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

263.90073 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.90801 126.5
[M+Na]+ 286.88995 130.6
[M-H]- 262.89345 118.4
[M+NH4]+ 281.93455 140.7
[M+K]+ 302.86389 136.2
[M+H-H2O]+ 246.89799 114.9
[M+HCOO]- 308.89893 140.8
[M+CH3COO]- 322.91458 181.6
[M+Na-2H]- 284.87540 122.4
[M]+ 263.90018 122.1
[M]- 263.90128 122.1
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