CID 71014

1207-71-2

Structural Information

Molecular Formula
C12H9NOS
SMILES
C1=CC=C2C(=C1)NC3=CC=CC=C3S2=O
InChI
InChI=1S/C12H9NOS/c14-15-11-7-3-1-5-9(11)13-10-6-2-4-8-12(10)15/h1-8,13H
InChIKey
DSAFSORWJPSMQS-UHFFFAOYSA-N
Compound name
10H-phenothiazine 5-oxide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

1279
Patents

215.04048 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.04776 140.0
[M+Na]+ 238.02970 150.1
[M-H]- 214.03320 143.1
[M+NH4]+ 233.07430 159.5
[M+K]+ 254.00364 144.3
[M+H-H2O]+ 198.03774 133.9
[M+HCOO]- 260.03868 154.6
[M+CH3COO]- 274.05433 152.7
[M+Na-2H]- 236.01515 147.7
[M]+ 215.03993 139.8
[M]- 215.04103 139.8
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