CID 5010306

5-acetamidonaphthalene-1-sulfonyl chloride

Structural Information

Molecular Formula
C12H10ClNO3S
SMILES
CC(=O)NC1=CC=CC2=C1C=CC=C2S(=O)(=O)Cl
InChI
InChI=1S/C12H10ClNO3S/c1-8(15)14-11-6-2-5-10-9(11)4-3-7-12(10)18(13,16)17/h2-7H,1H3,(H,14,15)
InChIKey
SCMTYCKLUSZRPQ-UHFFFAOYSA-N
Compound name
5-acetamidonaphthalene-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
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]+ 284.01428 156.7
[M+Na]+ 305.99622 166.6
[M-H]- 281.99972 162.0
[M+NH4]+ 301.04082 175.0
[M+K]+ 321.97016 161.5
[M+H-H2O]+ 266.00426 152.0
[M+HCOO]- 328.00520 170.1
[M+CH3COO]- 342.02085 196.8
[M+Na-2H]- 303.98167 162.4
[M]+ 283.00645 162.0
[M]- 283.00755 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