CID 170997595

5-bromo-1,3-thiazole-4-carbohydrazide

Structural Information

Molecular Formula
C4H4BrN3OS
SMILES
C1=NC(=C(S1)Br)C(=O)NN
InChI
InChI=1S/C4H4BrN3OS/c5-3-2(4(9)8-6)7-1-10-3/h1H,6H2,(H,8,9)
InChIKey
NZSKWMWHQYILLB-UHFFFAOYSA-N
Compound name
5-bromo-1,3-thiazole-4-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.92586 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.933136 128.8
[M+Na]+ 243.915078 141.2
[M-H]- 219.918584 134.2
[M+NH4]+ 238.959683 151.0
[M+K]+ 259.889018 129.7
[M+H-H2O]+ 203.923120 127.7
[M+HCOO]- 265.924061 147.6
[M+CH3COO]- 279.939711 184.7
[M+Na-2H]- 241.900526 133.7
[M]+ 220.92531142 146.7
[M]- 220.92640858 146.7
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.