CID 385372

1,3,4-trifluoro-2-nitrophenothiazine

Structural Information

Molecular Formula
C12H5F3N2O2S
SMILES
C1=CC=C2C(=C1)NC3=C(C(=C(C(=C3S2)F)F)[N+](=O)[O-])F
InChI
InChI=1S/C12H5F3N2O2S/c13-7-8(14)12-10(9(15)11(7)17(18)19)16-5-3-1-2-4-6(5)20-12/h1-4,16H
InChIKey
AWSJJTFAFQEBSD-UHFFFAOYSA-N
Compound name
1,3,4-trifluoro-2-nitro-10H-phenothiazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

298.00238 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.00966 152.1
[M+Na]+ 320.99160 162.1
[M-H]- 296.99510 151.5
[M+NH4]+ 316.03620 167.4
[M+K]+ 336.96554 151.4
[M+H-H2O]+ 280.99964 147.4
[M+HCOO]- 343.00058 163.7
[M+CH3COO]- 357.01623 195.1
[M+Na-2H]- 318.97705 157.8
[M]+ 298.00183 147.6
[M]- 298.00293 147.6
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

No patent data available for this compound.