CID 170552

Ent 52766

Structural Information

Molecular Formula
C16H9Cl2N3O6S
SMILES
C1=CC=C2C(=C1)C(=CC(=C2NS(=O)(=O)C3=C(C=CC(=C3)Cl)Cl)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C16H9Cl2N3O6S/c17-9-5-6-12(18)15(7-9)28(26,27)19-16-11-4-2-1-3-10(11)13(20(22)23)8-14(16)21(24)25/h1-8,19H
InChIKey
YLDYKMOQMUHZAC-UHFFFAOYSA-N
Compound name
2,5-dichloro-N-(2,4-dinitronaphthalen-1-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

440.95892 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.96620 193.9
[M+Na]+ 463.94814 198.5
[M-H]- 439.95164 200.0
[M+NH4]+ 458.99274 202.5
[M+K]+ 479.92208 185.4
[M+H-H2O]+ 423.95618 196.2
[M+HCOO]- 485.95712 203.3
[M+CH3COO]- 499.97277 213.6
[M+Na-2H]- 461.93359 202.2
[M]+ 440.95837 196.1
[M]- 440.95947 196.1
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.