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
1
Annotation Hits

0
References

46
Patents

283.007 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.01428 158.6
[M+Na]+ 305.99622 171.6
[M+NH4]+ 301.04082 166.8
[M+K]+ 321.97016 163.4
[M-H]- 281.99972 160.5
[M+Na-2H]- 303.98167 164.7
[M]+ 283.00645 161.8
[M]- 283.00755 161.8
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