CID 113045

1-hexadecanesulfonamide, n-(4-chloro-3-nitrophenyl)-

Structural Information

Molecular Formula
C22H37ClN2O4S
SMILES
CCCCCCCCCCCCCCCCS(=O)(=O)NC1=CC(=C(C=C1)Cl)[N+](=O)[O-]
InChI
InChI=1S/C22H37ClN2O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-30(28,29)24-20-16-17-21(23)22(19-20)25(26)27/h16-17,19,24H,2-15,18H2,1H3
InChIKey
CYHLPVVJEOQZPC-UHFFFAOYSA-N
Compound name
N-(4-chloro-3-nitrophenyl)hexadecane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

460.21625 Da
Monoisotopic Mass

9.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.22353 214.2
[M+Na]+ 483.20547 215.9
[M-H]- 459.20897 215.6
[M+NH4]+ 478.25007 223.0
[M+K]+ 499.17941 204.7
[M+H-H2O]+ 443.21351 211.0
[M+HCOO]- 505.21445 225.7
[M+CH3COO]- 519.23010 228.5
[M+Na-2H]- 481.19092 214.2
[M]+ 460.21570 221.7
[M]- 460.21680 221.7
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