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 157.4
[M+Na]+ 335.00726 165.6
[M-H]- 311.01076 156.2
[M+NH4]+ 330.05186 171.7
[M+K]+ 350.98120 155.3
[M+H-H2O]+ 295.01530 152.7
[M+HCOO]- 357.01624 167.3
[M+CH3COO]- 371.03189 195.3
[M+Na-2H]- 332.99271 165.2
[M]+ 312.01749 151.8
[M]- 312.01859 151.8
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