CID 818656

N-cyclohexyl-2-nitrobenzenesulfonamide

Structural Information

Molecular Formula
C12H16N2O4S
SMILES
C1CCC(CC1)NS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]
InChI
InChI=1S/C12H16N2O4S/c15-14(16)11-8-4-5-9-12(11)19(17,18)13-10-6-2-1-3-7-10/h4-5,8-10,13H,1-3,6-7H2
InChIKey
MLDBPBAIRZLOJF-UHFFFAOYSA-N
Compound name
N-cyclohexyl-2-nitrobenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

284.08307 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.090346 158.8
[M+Na]+ 307.072288 162.1
[M-H]- 283.075794 164.5
[M+NH4]+ 302.116893 173.0
[M+K]+ 323.046228 154.7
[M+H-H2O]+ 267.080330 156.0
[M+HCOO]- 329.081271 175.6
[M+CH3COO]- 343.096921 190.8
[M+Na-2H]- 305.057736 164.9
[M]+ 284.08252142 154.0
[M]- 284.08361858 154.0
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