CID 3039939

Brn 4154203

Structural Information

Molecular Formula
C20H18F3NS
SMILES
CN1CCC(=C2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F)CC1
InChI
InChI=1S/C20H18F3NS/c1-24-10-8-13(9-11-24)19-15-4-2-3-5-17(15)25-18-7-6-14(12-16(18)19)20(21,22)23/h2-7,12H,8-11H2,1H3
InChIKey
BEWBPMONLRTWDI-UHFFFAOYSA-N
Compound name
1-methyl-4-[2-(trifluoromethyl)thioxanthen-9-ylidene]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

361.1112 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.11848 181.6
[M+Na]+ 384.10042 192.8
[M+NH4]+ 379.14502 189.2
[M+K]+ 400.07436 182.7
[M-H]- 360.10392 182.5
[M+Na-2H]- 382.08587 186.1
[M]+ 361.11065 183.9
[M]- 361.11175 183.9
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

patents stripe