CID 1960

78957-85-4

Structural Information

Molecular Formula
C12H13ClN2O2S
SMILES
C1=CC2=C(C=CC=C2Cl)C(=C1)S(=O)(=O)NCCN
InChI
InChI=1S/C12H13ClN2O2S/c13-11-5-1-4-10-9(11)3-2-6-12(10)18(16,17)15-8-7-14/h1-6,15H,7-8,14H2
InChIKey
ACIMRXKJKQGBGL-UHFFFAOYSA-N
Compound name
N-(2-aminoethyl)-5-chloronaphthalene-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

18
References

67
Patents

284.03864 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.04592 158.7
[M+Na]+ 307.02786 167.8
[M-H]- 283.03136 162.9
[M+NH4]+ 302.07246 176.3
[M+K]+ 323.00180 161.6
[M+H-H2O]+ 267.03590 153.5
[M+HCOO]- 329.03684 172.9
[M+CH3COO]- 343.05249 199.8
[M+Na-2H]- 305.01331 164.7
[M]+ 284.03809 162.1
[M]- 284.03919 162.1
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