CID 71024

10h-phenothiazine 5,5-dioxide

Structural Information

Molecular Formula
C12H9NO2S
SMILES
C1=CC=C2C(=C1)NC3=CC=CC=C3S2(=O)=O
InChI
InChI=1S/C12H9NO2S/c14-16(15)11-7-3-1-5-9(11)13-10-6-2-4-8-12(10)16/h1-8,13H
InChIKey
ZAYUOSICZWFJSW-UHFFFAOYSA-N
Compound name
10H-phenothiazine 5,5-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

595
Patents

231.0354 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.04268 144.5
[M+Na]+ 254.02462 155.5
[M-H]- 230.02812 147.7
[M+NH4]+ 249.06922 165.2
[M+K]+ 269.99856 149.9
[M+H-H2O]+ 214.03266 138.3
[M+HCOO]- 276.03360 159.3
[M+CH3COO]- 290.04925 157.3
[M+Na-2H]- 252.01007 153.4
[M]+ 231.03485 145.4
[M]- 231.03595 145.4
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