CID 19755145

Ethyl 4-(hydrazinesulfonyl)benzoate

Structural Information

Molecular Formula
C9H12N2O4S
SMILES
CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)NN
InChI
InChI=1S/C9H12N2O4S/c1-2-15-9(12)7-3-5-8(6-4-7)16(13,14)11-10/h3-6,11H,2,10H2,1H3
InChIKey
QHEKOEKOWFGCLH-UHFFFAOYSA-N
Compound name
ethyl 4-(hydrazinesulfonyl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

244.05177 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.059046 150.3
[M+Na]+ 267.040988 157.2
[M-H]- 243.044494 153.5
[M+NH4]+ 262.085593 167.0
[M+K]+ 283.014928 154.7
[M+H-H2O]+ 227.049030 143.6
[M+HCOO]- 289.049971 169.5
[M+CH3COO]- 303.065621 191.9
[M+Na-2H]- 265.026436 154.2
[M]+ 244.05122142 152.3
[M]- 244.05231858 152.3
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

patents stripe