CID 7082

2-(trifluoromethyl)phenothiazine

Structural Information

Molecular Formula
C13H8F3NS
SMILES
C1=CC=C2C(=C1)NC3=C(S2)C=CC(=C3)C(F)(F)F
InChI
InChI=1S/C13H8F3NS/c14-13(15,16)8-5-6-12-10(7-8)17-9-3-1-2-4-11(9)18-12/h1-7,17H
InChIKey
RKGYJVASTMCSHZ-UHFFFAOYSA-N
Compound name
2-(trifluoromethyl)-10H-phenothiazine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

7
References

331
Patents

267.03296 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.04024 153.0
[M+Na]+ 290.02218 164.2
[M+NH4]+ 285.06678 160.8
[M+K]+ 305.99612 155.6
[M-H]- 266.02568 151.8
[M+Na-2H]- 288.00763 157.9
[M]+ 267.03241 154.6
[M]- 267.03351 154.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe