CID 122163970

3-bromo-4-nitro-1,2-thiazole

Structural Information

Molecular Formula
C3HBrN2O2S
SMILES
C1=C(C(=NS1)Br)[N+](=O)[O-]
InChI
InChI=1S/C3HBrN2O2S/c4-3-2(6(7)8)1-9-5-3/h1H
InChIKey
URSKGLODXRZCTH-UHFFFAOYSA-N
Compound name
3-bromo-4-nitro-1,2-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.89421 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.90149 125.2
[M+Na]+ 230.88343 138.7
[M-H]- 206.88693 131.6
[M+NH4]+ 225.92803 148.2
[M+K]+ 246.85737 124.6
[M+H-H2O]+ 190.89147 129.7
[M+HCOO]- 252.89241 145.0
[M+CH3COO]- 266.90806 173.6
[M+Na-2H]- 228.86888 133.1
[M]+ 207.89366 144.3
[M]- 207.89476 144.3
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