CID 2247868

2-propenoic acid, 3-(2-naphthalenylsulfonyl)-, methyl ester, (z)-

Structural Information

Molecular Formula
C14H12O4S
SMILES
COC(=O)/C=C\S(=O)(=O)C1=CC2=CC=CC=C2C=C1
InChI
InChI=1S/C14H12O4S/c1-18-14(15)8-9-19(16,17)13-7-6-11-4-2-3-5-12(11)10-13/h2-10H,1H3/b9-8-
InChIKey
OUCBQFLJRUKAIQ-HJWRWDBZSA-N
Compound name
methyl (Z)-3-naphthalen-2-ylsulfonylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.04562 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.052896 159.1
[M+Na]+ 299.034838 167.7
[M-H]- 275.038344 163.8
[M+NH4]+ 294.079443 176.7
[M+K]+ 315.008778 163.8
[M+H-H2O]+ 259.042880 153.0
[M+HCOO]- 321.043821 175.8
[M+CH3COO]- 335.059471 193.5
[M+Na-2H]- 297.020286 164.3
[M]+ 276.04507142 164.0
[M]- 276.04616858 164.0
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

No patent data available for this compound.