CID 4677573

7-nitro-2-(trifluoromethyl)-10h-phenothiazine

Structural Information

Molecular Formula
C13H7F3N2O2S
SMILES
C1=CC2=C(C=C1C(F)(F)F)NC3=C(S2)C=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C13H7F3N2O2S/c14-13(15,16)7-1-4-11-10(5-7)17-9-3-2-8(18(19)20)6-12(9)21-11/h1-6,17H
InChIKey
LLVCJYBCDMKVPS-UHFFFAOYSA-N
Compound name
7-nitro-2-(trifluoromethyl)-10H-phenothiazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

312.01804 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.02532 150.7
[M+Na]+ 335.00726 161.6
[M+NH4]+ 330.05186 157.4
[M+K]+ 350.98120 157.0
[M-H]- 311.01076 149.9
[M+Na-2H]- 332.99271 155.2
[M]+ 312.01749 152.2
[M]- 312.01859 152.2
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

patents stripe