CID 137943144

5-bromo-n'-hydroxy-1,3,4-thiadiazole-2-carboximidamide

Structural Information

Molecular Formula
C3H3BrN4OS
SMILES
C1(=NN=C(S1)Br)/C(=N/O)/N
InChI
InChI=1S/C3H3BrN4OS/c4-3-7-6-2(10-3)1(5)8-9/h9H,(H2,5,8)
InChIKey
MRUJTWQVZYBSCL-UHFFFAOYSA-N
Compound name
5-bromo-N'-hydroxy-1,3,4-thiadiazole-2-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.9211 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.92838 126.1
[M+Na]+ 244.91032 139.1
[M-H]- 220.91382 130.5
[M+NH4]+ 239.95492 147.1
[M+K]+ 260.88426 127.7
[M+H-H2O]+ 204.91836 124.8
[M+HCOO]- 266.91930 144.2
[M+CH3COO]- 280.93495 184.5
[M+Na-2H]- 242.89577 131.8
[M]+ 221.92055 144.2
[M]- 221.92165 144.2
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.