CID 15141964

139670-03-4

Structural Information

Molecular Formula
C3HBrClNS
SMILES
C1=C(N=C(S1)Br)Cl
InChI
InChI=1S/C3HBrClNS/c4-3-6-2(5)1-7-3/h1H
InChIKey
WOUPIOIURYZNRU-UHFFFAOYSA-N
Compound name
2-bromo-4-chloro-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

81
Patents

196.87016 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.87744 119.7
[M+Na]+ 219.85938 135.9
[M-H]- 195.86288 126.3
[M+NH4]+ 214.90398 145.2
[M+K]+ 235.83332 123.9
[M+H-H2O]+ 179.86742 121.8
[M+HCOO]- 241.86836 134.2
[M+CH3COO]- 255.88401 137.4
[M+Na-2H]- 217.84483 126.1
[M]+ 196.86961 141.5
[M]- 196.87071 141.5
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