CID 120213

Phenothiazine, 4-(trifluoromethyl)-

Structural Information

Molecular Formula

C₁₃H₈F₃NS

SMILES

C1=CC=C2C(=C1)NC3=CC=CC(=C3S2)C(F)(F)F

InChI

InChI=1S/C13H8F3NS/c14-13(15,16)8-4-3-6-10-12(8)18-11-7-2-1-5-9(11)17-10/h1-7,17H

InChIKey

NSWKFLADKSTFDS-UHFFFAOYSA-N

Compound name

4-(trifluoromethyl)-10H-phenothiazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 267.03296 Da
Monoisotopic Mass: 4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	268.040236	151.5
[M+Na]+	290.022178	161.5
[M-H]-	266.025684	150.3
[M+NH4]+	285.066783	168.9
[M+K]+	305.996118	154.6
[M+H-H2O]+	250.030220	142.7
[M+HCOO]-	312.031161	160.5
[M+CH3COO]-	326.046811	162.1
[M+Na-2H]-	288.007626	157.5
[M]+	267.03241142	147.2
[M]-	267.03350858	147.2

Literature stripe

literature stripe

Patent stripe

patents stripe