CID 11988

2-hydrazinobenzothiazole

Structural Information

Molecular Formula
C7H7N3S
SMILES
C1=CC=C2C(=C1)N=C(S2)NN
InChI
InChI=1S/C7H7N3S/c8-10-7-9-5-3-1-2-4-6(5)11-7/h1-4H,8H2,(H,9,10)
InChIKey
JYSUYJCLUODSLN-UHFFFAOYSA-N
Compound name
1,3-benzothiazol-2-ylhydrazine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

24
References

1298
Patents

165.03607 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.04335 128.4
[M+Na]+ 188.02529 140.4
[M+NH4]+ 183.06989 138.3
[M+K]+ 203.99923 133.8
[M-H]- 164.02879 132.0
[M+Na-2H]- 186.01074 135.7
[M]+ 165.03552 131.5
[M]- 165.03662 131.5
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