CID 6163648

331460-76-5

Structural Information

Molecular Formula
C16H13FO4S
SMILES
CS(=O)(=O)OC1=CC=C(C=C1)C(=O)/C=C/C2=CC=C(C=C2)F
InChI
InChI=1S/C16H13FO4S/c1-22(19,20)21-15-9-5-13(6-10-15)16(18)11-4-12-2-7-14(17)8-3-12/h2-11H,1H3/b11-4+
InChIKey
HJZBIJOEVWFQKD-NYYWCZLTSA-N
Compound name
[4-[(E)-3-(4-fluorophenyl)prop-2-enoyl]phenyl] methanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.05185 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.05913 169.4
[M+Na]+ 343.04107 177.9
[M-H]- 319.04457 175.1
[M+NH4]+ 338.08567 183.9
[M+K]+ 359.01501 173.0
[M+H-H2O]+ 303.04911 161.2
[M+HCOO]- 365.05005 185.9
[M+CH3COO]- 379.06570 202.2
[M+Na-2H]- 341.02652 171.4
[M]+ 320.05130 172.8
[M]- 320.05240 172.8
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.