CID 131607483

2090046-28-7

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

4
Patents

201.92003 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.927306 124.8
[M+Na]+ 224.909248 141.5
[M-H]- 200.912754 129.9
[M+NH4]+ 219.953853 147.0
[M+K]+ 240.883188 130.8
[M+H-H2O]+ 184.917290 118.6
[M+HCOO]- 246.918231 141.9
[M+CH3COO]- 260.933881 192.2
[M+Na-2H]- 222.894696 129.9
[M]+ 201.91948142 139.3
[M]- 201.92057858 139.3
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