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]+ 243.95386 132.0
[M+Na]+ 265.93580 146.7
[M-H]- 241.93930 138.8
[M+NH4]+ 260.98040 155.1
[M+K]+ 281.90974 133.9
[M+H-H2O]+ 225.94384 131.9
[M+HCOO]- 287.94478 152.1
[M+CH3COO]- 301.96043 148.3
[M+Na-2H]- 263.92125 140.2
[M]+ 242.94603 152.1
[M]- 242.94713 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.