CID 148997729

2-chloro-4-iodo-5-methyl-1,3-oxazole

Structural Information

Molecular Formula
C4H3ClINO
SMILES
CC1=C(N=C(O1)Cl)I
InChI
InChI=1S/C4H3ClINO/c1-2-3(6)7-4(5)8-2/h1H3
InChIKey
PZAHYHQMAYORFW-UHFFFAOYSA-N
Compound name
2-chloro-4-iodo-5-methyl-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.89479 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.90207 126.4
[M+Na]+ 265.88401 131.1
[M-H]- 241.88751 123.1
[M+NH4]+ 260.92861 143.7
[M+K]+ 281.85795 135.4
[M+H-H2O]+ 225.89205 118.4
[M+HCOO]- 287.89299 141.6
[M+CH3COO]- 301.90864 179.1
[M+Na-2H]- 263.86946 121.7
[M]+ 242.89424 127.6
[M]- 242.89534 127.6
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.