CID 23154594

34203-25-3

Structural Information

Molecular Formula
C4H4INS
SMILES
CC1=CSC(=N1)I
InChI
InChI=1S/C4H4INS/c1-3-2-7-4(5)6-3/h2H,1H3
InChIKey
ZXQBECTXVXNCND-UHFFFAOYSA-N
Compound name
2-iodo-4-methyl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

126
Patents

224.91092 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.918196 124.9
[M+Na]+ 247.900138 128.7
[M-H]- 223.903644 121.5
[M+NH4]+ 242.944743 143.9
[M+K]+ 263.874078 133.0
[M+H-H2O]+ 207.908180 116.4
[M+HCOO]- 269.909121 140.4
[M+CH3COO]- 283.924771 176.3
[M+Na-2H]- 245.885586 116.9
[M]+ 224.91037142 124.5
[M]- 224.91146858 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