CID 6446681

N 7003 (trans)

Structural Information

Molecular Formula
C18H18FNS
SMILES
CN(C)CC/C=C/1\C2=CC=CC=C2SC3=C1C=C(C=C3)F
InChI
InChI=1S/C18H18FNS/c1-20(2)11-5-7-14-15-6-3-4-8-17(15)21-18-10-9-13(19)12-16(14)18/h3-4,6-10,12H,5,11H2,1-2H3/b14-7+
InChIKey
QALACSSRUJCRNL-VGOFMYFVSA-N
Compound name
(3E)-3-(2-fluorothioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.1144 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.12168 165.5
[M+Na]+ 322.10362 173.4
[M-H]- 298.10712 170.4
[M+NH4]+ 317.14822 184.1
[M+K]+ 338.07756 167.6
[M+H-H2O]+ 282.11166 157.3
[M+HCOO]- 344.11260 180.7
[M+CH3COO]- 358.12825 176.7
[M+Na-2H]- 320.08907 168.9
[M]+ 299.11385 166.9
[M]- 299.11495 166.9
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

No patent data available for this compound.