CID 23647

Flutiazin

Structural Information

Molecular Formula
C14H8F3NO2S
SMILES
C1=CC(=C2C(=C1)SC3=C(N2)C=C(C=C3)C(F)(F)F)C(=O)O
InChI
InChI=1S/C14H8F3NO2S/c15-14(16,17)7-4-5-10-9(6-7)18-12-8(13(19)20)2-1-3-11(12)21-10/h1-6,18H,(H,19,20)
InChIKey
WXIGSVFQTLVMQM-UHFFFAOYSA-N
Compound name
8-(trifluoromethyl)-10H-phenothiazine-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

973
Patents

311.0228 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.030076 162.1
[M+Na]+ 334.012018 171.5
[M-H]- 310.015524 159.6
[M+NH4]+ 329.056623 176.8
[M+K]+ 349.985958 164.7
[M+H-H2O]+ 294.020060 153.6
[M+HCOO]- 356.021001 168.7
[M+CH3COO]- 370.036651 171.5
[M+Na-2H]- 331.997466 166.0
[M]+ 311.02225142 158.4
[M]- 311.02334858 158.4
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