CID 2247868

Brn 5555685

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]+ 277.05290 159.6
[M+Na]+ 299.03484 171.8
[M+NH4]+ 294.07944 166.9
[M+K]+ 315.00878 163.9
[M-H]- 275.03834 160.4
[M+Na-2H]- 297.02029 165.1
[M]+ 276.04507 162.0
[M]- 276.04617 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

No patent data available for this compound.