CID 119827

2-naphthalenesulfonyl chloride, 6-(acetylamino)-

Structural Information

Molecular Formula
C12H10ClNO3S
SMILES
CC(=O)NC1=CC2=C(C=C1)C=C(C=C2)S(=O)(=O)Cl
InChI
InChI=1S/C12H10ClNO3S/c1-8(15)14-11-4-2-10-7-12(18(13,16)17)5-3-9(10)6-11/h2-7H,1H3,(H,14,15)
InChIKey
AWEHSEOYWOMMFS-UHFFFAOYSA-N
Compound name
6-acetamidonaphthalene-2-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

55
Patents

283.007 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.014276 156.7
[M+Na]+ 305.996218 166.6
[M-H]- 281.999724 162.0
[M+NH4]+ 301.040823 175.0
[M+K]+ 321.970158 161.5
[M+H-H2O]+ 266.004260 152.0
[M+HCOO]- 328.005201 170.1
[M+CH3COO]- 342.020851 196.8
[M+Na-2H]- 303.981666 162.4
[M]+ 283.00645142 162.0
[M]- 283.00754858 162.0
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