CID 117059

2-naphthalenesulfonyl chloride, 5-[acetyl(methylsulfonyl)amino]-1-(acetyloxy)-

Structural Information

Molecular Formula
C15H14ClNO7S2
SMILES
CC(=O)N(C1=CC=CC2=C1C=CC(=C2OC(=O)C)S(=O)(=O)Cl)S(=O)(=O)C
InChI
InChI=1S/C15H14ClNO7S2/c1-9(18)17(25(3,20)21)13-6-4-5-12-11(13)7-8-14(26(16,22)23)15(12)24-10(2)19/h4-8H,1-3H3
InChIKey
WHPYMFSZJFUWHZ-UHFFFAOYSA-N
Compound name
[5-[acetyl(methylsulfonyl)amino]-2-chlorosulfonylnaphthalen-1-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

418.99002 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.99730 184.8
[M+Na]+ 441.97924 192.5
[M-H]- 417.98274 190.6
[M+NH4]+ 437.02384 197.4
[M+K]+ 457.95318 189.2
[M+H-H2O]+ 401.98728 179.8
[M+HCOO]- 463.98822 190.7
[M+CH3COO]- 478.00387 221.3
[M+Na-2H]- 439.96469 189.1
[M]+ 418.98947 195.7
[M]- 418.99057 195.7
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.