CID 1032766

7-chloro-2,3-difluoro-9-(3-dimethylaminopropylidene)thioxanthene hydrochloride

Structural Information

Molecular Formula
C18H16ClF2NS
SMILES
CN(C)CC/C=C\1/C2=CC(=C(C=C2SC3=C1C=C(C=C3)Cl)F)F
InChI
InChI=1S/C18H16ClF2NS/c1-22(2)7-3-4-12-13-8-11(19)5-6-17(13)23-18-10-16(21)15(20)9-14(12)18/h4-6,8-10H,3,7H2,1-2H3/b12-4+
InChIKey
HPZDITUOJVLIFB-UUILKARUSA-N
Compound name
(3Z)-3-(7-chloro-2,3-difluorothioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

351.066 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.07328 174.3
[M+Na]+ 374.05522 187.8
[M+NH4]+ 369.09982 183.5
[M+K]+ 390.02916 176.4
[M-H]- 350.05872 176.9
[M+Na-2H]- 372.04067 179.5
[M]+ 351.06545 177.8
[M]- 351.06655 177.8
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

No patent data available for this compound.