CID 379200

Nsc663612

Structural Information

Molecular Formula
C14H9F4NS
SMILES
C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(C(F)F)(F)F
InChI
InChI=1S/C14H9F4NS/c15-13(16)14(17,18)19-9-5-1-3-7-11(9)20-12-8-4-2-6-10(12)19/h1-8,13H
InChIKey
NCFCNCQPPGSKGS-UHFFFAOYSA-N
Compound name
10-(1,1,2,2-tetrafluoroethyl)phenothiazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.03918 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.04646 159.0
[M+Na]+ 322.02840 168.4
[M-H]- 298.03190 157.5
[M+NH4]+ 317.07300 175.3
[M+K]+ 338.00234 162.2
[M+H-H2O]+ 282.03644 148.6
[M+HCOO]- 344.03738 166.9
[M+CH3COO]- 358.05303 168.9
[M+Na-2H]- 320.01385 163.0
[M]+ 299.03863 155.1
[M]- 299.03973 155.1
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.