CID 2049838

4-bromo-2-hydrazino-1,3-benzothiazole

Structural Information

Molecular Formula
C7H6BrN3S
SMILES
C1=CC2=C(C(=C1)Br)N=C(S2)NN
InChI
InChI=1S/C7H6BrN3S/c8-4-2-1-3-5-6(4)10-7(11-9)12-5/h1-3H,9H2,(H,10,11)
InChIKey
WBDWQZLAGDRYRD-UHFFFAOYSA-N
Compound name
(4-bromo-1,3-benzothiazol-2-yl)hydrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.94658 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.953856 132.0
[M+Na]+ 265.935798 146.7
[M-H]- 241.939304 138.8
[M+NH4]+ 260.980403 155.1
[M+K]+ 281.909738 133.9
[M+H-H2O]+ 225.943840 131.9
[M+HCOO]- 287.944781 152.1
[M+CH3COO]- 301.960431 148.3
[M+Na-2H]- 263.921246 140.2
[M]+ 242.94603142 152.1
[M]- 242.94712858 152.1
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.