CID 5003108

1-(4-hydrazinyl-3-nitrobenzenesulfonyl)pyrrolidine hydrochloride

Structural Information

Molecular Formula
C10H14N4O4S
SMILES
C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NN)[N+](=O)[O-]
InChI
InChI=1S/C10H14N4O4S/c11-12-9-4-3-8(7-10(9)14(15)16)19(17,18)13-5-1-2-6-13/h3-4,7,12H,1-2,5-6,11H2
InChIKey
TXHCQSRNEQKTHH-UHFFFAOYSA-N
Compound name
(2-nitro-4-pyrrolidin-1-ylsulfonylphenyl)hydrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.07358 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.08086 157.3
[M+Na]+ 309.06280 162.2
[M-H]- 285.06630 162.3
[M+NH4]+ 304.10740 171.6
[M+K]+ 325.03674 154.8
[M+H-H2O]+ 269.07084 154.4
[M+HCOO]- 331.07178 175.9
[M+CH3COO]- 345.08743 192.3
[M+Na-2H]- 307.04825 162.9
[M]+ 286.07303 152.9
[M]- 286.07413 152.9
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.