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]+ 287.080856 157.3
[M+Na]+ 309.062798 162.2
[M-H]- 285.066304 162.3
[M+NH4]+ 304.107403 171.6
[M+K]+ 325.036738 154.8
[M+H-H2O]+ 269.070840 154.4
[M+HCOO]- 331.071781 175.9
[M+CH3COO]- 345.087431 192.3
[M+Na-2H]- 307.048246 162.9
[M]+ 286.07303142 152.9
[M]- 286.07412858 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.