CID 3718032

420092-79-1

Structural Information

Molecular Formula
C16H11ClN2O5S
SMILES
C1=CC=C2C(=C1)C(=CC=C2O)NS(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]
InChI
InChI=1S/C16H11ClN2O5S/c17-13-6-5-10(9-15(13)19(21)22)25(23,24)18-14-7-8-16(20)12-4-2-1-3-11(12)14/h1-9,18,20H
InChIKey
JDYDEJYIVZNWQU-UHFFFAOYSA-N
Compound name
4-chloro-N-(4-hydroxynaphthalen-1-yl)-3-nitrobenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

27
Patents

378.00772 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.014996 178.2
[M+Na]+ 400.996938 185.5
[M-H]- 377.000444 184.7
[M+NH4]+ 396.041543 190.1
[M+K]+ 416.970878 175.5
[M+H-H2O]+ 361.004980 176.1
[M+HCOO]- 423.005921 191.5
[M+CH3COO]- 437.021571 206.5
[M+Na-2H]- 398.982386 186.3
[M]+ 378.00717142 180.8
[M]- 378.00826858 180.8
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