CID 2757245

728864-87-7

Structural Information

Molecular Formula
C14H16ClNO2S
SMILES
CCCCNC1=CC=CC2=C1C=CC=C2S(=O)(=O)Cl
InChI
InChI=1S/C14H16ClNO2S/c1-2-3-10-16-13-8-4-7-12-11(13)6-5-9-14(12)19(15,17)18/h4-9,16H,2-3,10H2,1H3
InChIKey
HLBDFCNJJRYPKY-UHFFFAOYSA-N
Compound name
5-(butylamino)naphthalene-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.05902 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.06630 163.7
[M+Na]+ 320.04824 172.9
[M-H]- 296.05174 168.4
[M+NH4]+ 315.09284 181.6
[M+K]+ 336.02218 166.8
[M+H-H2O]+ 280.05628 158.5
[M+HCOO]- 342.05722 177.0
[M+CH3COO]- 356.07287 201.3
[M+Na-2H]- 318.03369 169.2
[M]+ 297.05847 169.6
[M]- 297.05957 169.6
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.