CID 121601689

2-iodo-4-(trifluoromethyl)oxazole

Structural Information

Molecular Formula
C4HF3INO
SMILES
C1=C(N=C(O1)I)C(F)(F)F
InChI
InChI=1S/C4HF3INO/c5-4(6,7)2-1-10-3(8)9-2/h1H
InChIKey
LKVJAKAVEAHRFR-UHFFFAOYSA-N
Compound name
2-iodo-4-(trifluoromethyl)-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.9055 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.91278 128.4
[M+Na]+ 285.89472 132.1
[M-H]- 261.89822 121.5
[M+NH4]+ 280.93932 143.9
[M+K]+ 301.86866 137.6
[M+H-H2O]+ 245.90276 117.6
[M+HCOO]- 307.90370 143.6
[M+CH3COO]- 321.91935 181.9
[M+Na-2H]- 283.88017 123.9
[M]+ 262.90495 123.8
[M]- 262.90605 123.8
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.