CID 131382

131467-86-2

Structural Information

Molecular Formula
C8H11N5O3S
SMILES
CN(C)S(=O)(=O)C1=CC=C(C2=NON=C12)NN
InChI
InChI=1S/C8H11N5O3S/c1-13(2)17(14,15)6-4-3-5(10-9)7-8(6)12-16-11-7/h3-4,10H,9H2,1-2H3
InChIKey
VPDDJYGQJSTHTA-UHFFFAOYSA-N
Compound name
7-hydrazinyl-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

26
Patents

257.05826 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.06554 152.3
[M+Na]+ 280.04748 162.8
[M-H]- 256.05098 157.3
[M+NH4]+ 275.09208 168.5
[M+K]+ 296.02142 161.7
[M+H-H2O]+ 240.05552 145.3
[M+HCOO]- 302.05646 172.9
[M+CH3COO]- 316.07211 200.0
[M+Na-2H]- 278.03293 160.0
[M]+ 257.05771 157.8
[M]- 257.05881 157.8
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