CID 11703255

Resatorvid

Structural Information

Molecular Formula
C15H17ClFNO4S
SMILES
CCOC(=O)C1=CCCC[C@H]1S(=O)(=O)NC2=C(C=C(C=C2)F)Cl
InChI
InChI=1S/C15H17ClFNO4S/c1-2-22-15(19)11-5-3-4-6-14(11)23(20,21)18-13-8-7-10(17)9-12(13)16/h5,7-9,14,18H,2-4,6H2,1H3/t14-/m1/s1
InChIKey
LEEIJTHMHDMWLJ-CQSZACIVSA-N
Compound name
ethyl (6R)-6-[(2-chloro-4-fluorophenyl)sulfamoyl]cyclohexene-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

339
References

734
Patents

361.05508 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.06236 176.4
[M+Na]+ 384.04430 183.5
[M-H]- 360.04780 181.7
[M+NH4]+ 379.08890 190.1
[M+K]+ 400.01824 178.4
[M+H-H2O]+ 344.05234 169.3
[M+HCOO]- 406.05328 186.7
[M+CH3COO]- 420.06893 210.7
[M+Na-2H]- 382.02975 177.0
[M]+ 361.05453 179.3
[M]- 361.05563 179.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe