CID 3056862

Lu 12-304

Structural Information

Molecular Formula
C19H17ClFNS
SMILES
CN1CCC(=C2C3=C(C=C(C=C3)F)SC4=C2C=C(C=C4)Cl)CC1
InChI
InChI=1S/C19H17ClFNS/c1-22-8-6-12(7-9-22)19-15-4-3-14(21)11-18(15)23-17-5-2-13(20)10-16(17)19/h2-5,10-11H,6-9H2,1H3
InChIKey
OIPUKSHAANONTB-UHFFFAOYSA-N
Compound name
4-(2-chloro-6-fluorothioxanthen-9-ylidene)-1-methylpiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

345.07544 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.08272 175.9
[M+Na]+ 368.06466 184.9
[M-H]- 344.06816 180.7
[M+NH4]+ 363.10926 191.6
[M+K]+ 384.03860 176.3
[M+H-H2O]+ 328.07270 167.2
[M+HCOO]- 390.07364 180.7
[M+CH3COO]- 404.08929 185.4
[M+Na-2H]- 366.05011 176.4
[M]+ 345.07489 173.8
[M]- 345.07599 173.8
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