CID 131607483

4-bromo-5-methylthiazole-2-carbonitrile

Structural Information

Molecular Formula
C5H3BrN2S
SMILES
CC1=C(N=C(S1)C#N)Br
InChI
InChI=1S/C5H3BrN2S/c1-3-5(6)8-4(2-7)9-3/h1H3
InChIKey
ZRXUOQSQZVGYEF-UHFFFAOYSA-N
Compound name
4-bromo-5-methyl-1,3-thiazole-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.92003 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.92731 124.2
[M+Na]+ 224.90925 127.7
[M+NH4]+ 219.95385 127.1
[M+K]+ 240.88319 125.1
[M-H]- 200.91275 118.4
[M+Na-2H]- 222.89470 125.6
[M]+ 201.91948 121.6
[M]- 201.92058 121.6
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.