CID 117064676

2119224-22-3

Structural Information

Molecular Formula
C18H19FNO2PS
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N2C[C@@H]3C[C@H]2C[P@@]3C4=CC=C(C=C4)F
InChI
InChI=1S/C18H19FNO2PS/c1-13-2-8-18(9-3-13)24(21,22)20-11-17-10-15(20)12-23(17)16-6-4-14(19)5-7-16/h2-9,15,17H,10-12H2,1H3/t15-,17-,23+/m0/s1
InChIKey
UPOWUYAESRCGIJ-WSZRMNBISA-N
Compound name
(1S,4S,5S)-5-(4-fluorophenyl)-2-(4-methylphenyl)sulfonyl-2-aza-5-phosphabicyclo[2.2.1]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.08582 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.09310 180.0
[M+Na]+ 386.07504 190.6
[M+NH4]+ 381.11964 188.0
[M+K]+ 402.04898 185.7
[M-H]- 362.07854 182.2
[M+Na-2H]- 384.06049 184.2
[M]+ 363.08527 182.4
[M]- 363.08637 182.4
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.