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 159.1
[M+Na]+ 299.03484 167.7
[M-H]- 275.03834 163.8
[M+NH4]+ 294.07944 176.7
[M+K]+ 315.00878 163.8
[M+H-H2O]+ 259.04288 153.0
[M+HCOO]- 321.04382 175.8
[M+CH3COO]- 335.05947 193.5
[M+Na-2H]- 297.02029 164.3
[M]+ 276.04507 164.0
[M]- 276.04617 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.