CID 56698900

1308384-42-0

Structural Information

Molecular Formula
C9H5ClF3NO4S
SMILES
CC1=C(C=C(O1)C2=NOC(=C2)C(F)(F)F)S(=O)(=O)Cl
InChI
InChI=1S/C9H5ClF3NO4S/c1-4-7(19(10,15)16)3-6(17-4)5-2-8(18-14-5)9(11,12)13/h2-3H,1H3
InChIKey
SEKVRWJYBWRBNJ-UHFFFAOYSA-N
Compound name
2-methyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]furan-3-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.95798 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.96526 169.9
[M+Na]+ 337.94720 178.9
[M+NH4]+ 332.99180 173.8
[M+K]+ 353.92114 177.3
[M-H]- 313.95070 167.9
[M+Na-2H]- 335.93265 171.4
[M]+ 314.95743 171.0
[M]- 314.95853 171.0
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.