CID 843260

4-bromothiophene-2-carbohydrazide

Structural Information

Molecular Formula
C5H5BrN2OS
SMILES
C1=C(SC=C1Br)C(=O)NN
InChI
InChI=1S/C5H5BrN2OS/c6-3-1-4(10-2-3)5(9)8-7/h1-2H,7H2,(H,8,9)
InChIKey
QOKOFTFJCNWYPN-UHFFFAOYSA-N
Compound name
4-bromothiophene-2-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

1
Patents

219.9306 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.93788 131.5
[M+Na]+ 242.91982 131.4
[M+NH4]+ 237.96442 136.3
[M+K]+ 258.89376 133.0
[M-H]- 218.92332 131.9
[M+Na-2H]- 240.90527 133.5
[M]+ 219.93005 130.5
[M]- 219.93115 130.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe