CID 23154586

2-iodo-5-methyl-1,3-thiazole

Structural Information

Molecular Formula
C4H4INS
SMILES
CC1=CN=C(S1)I
InChI
InChI=1S/C4H4INS/c1-3-2-6-4(5)7-3/h2H,1H3
InChIKey
HUSIZGWEEAVFKT-UHFFFAOYSA-N
Compound name
2-iodo-5-methyl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

123
Patents

224.91092 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.91820 124.9
[M+Na]+ 247.90014 128.7
[M-H]- 223.90364 121.5
[M+NH4]+ 242.94474 143.9
[M+K]+ 263.87408 133.0
[M+H-H2O]+ 207.90818 116.4
[M+HCOO]- 269.90912 140.4
[M+CH3COO]- 283.92477 176.3
[M+Na-2H]- 245.88559 116.9
[M]+ 224.91037 124.5
[M]- 224.91147 124.5
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

patents stripe