CID 103370

Einecs 265-719-6

Structural Information

Molecular Formula
C15H14N2O6S
SMILES
C1=CC(=CC(=C1)S(=O)(=O)CCO)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C15H14N2O6S/c18-8-9-24(22,23)14-3-1-2-12(10-14)16-15(19)11-4-6-13(7-5-11)17(20)21/h1-7,10,18H,8-9H2,(H,16,19)
InChIKey
QJFXNNDXHRPNFO-UHFFFAOYSA-N
Compound name
N-[3-(2-hydroxyethylsulfonyl)phenyl]-4-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.05725 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.06453 174.5
[M+Na]+ 373.04647 178.9
[M-H]- 349.04997 179.6
[M+NH4]+ 368.09107 185.1
[M+K]+ 389.02041 170.7
[M+H-H2O]+ 333.05451 170.8
[M+HCOO]- 395.05545 192.3
[M+CH3COO]- 409.07110 200.8
[M+Na-2H]- 371.03192 180.4
[M]+ 350.05670 174.4
[M]- 350.05780 174.4
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.