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 181.8
[M+Na]+ 384.10042 189.3
[M-H]- 360.10392 183.7
[M+NH4]+ 379.14502 195.6
[M+K]+ 400.07436 181.2
[M+H-H2O]+ 344.10846 170.6
[M+HCOO]- 406.10940 187.1
[M+CH3COO]- 420.12505 189.8
[M+Na-2H]- 382.08587 182.5
[M]+ 361.11065 174.7
[M]- 361.11175 174.7
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