CID 827257

1-propanamine, 3-(2-chloro-7-fluoro-9h-thioxanthen-9-ylidene)-n,n-dimethyl-, hydrochloride

Structural Information

Molecular Formula
C18H17ClFNS
SMILES
CN(C)CC/C=C/1\C2=C(C=CC(=C2)F)SC3=C1C=C(C=C3)Cl
InChI
InChI=1S/C18H17ClFNS/c1-21(2)9-3-4-14-15-10-12(19)5-7-17(15)22-18-8-6-13(20)11-16(14)18/h4-8,10-11H,3,9H2,1-2H3/b14-4-
InChIKey
VCPRSFYZZOYOEQ-CPSFFCFKSA-N
Compound name
(3E)-3-(2-chloro-7-fluorothioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.07544 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.08272 172.1
[M+Na]+ 356.06466 181.5
[M-H]- 332.06816 177.2
[M+NH4]+ 351.10926 190.5
[M+K]+ 372.03860 174.3
[M+H-H2O]+ 316.07270 165.0
[M+HCOO]- 378.07364 182.8
[M+CH3COO]- 392.08929 183.2
[M+Na-2H]- 354.05011 174.4
[M]+ 333.07489 176.1
[M]- 333.07599 176.1
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.