CID 71017

3-chloro-10h-phenothiazine

Structural Information

Molecular Formula
C12H8ClNS
SMILES
C1=CC=C2C(=C1)NC3=C(S2)C=C(C=C3)Cl
InChI
InChI=1S/C12H8ClNS/c13-8-5-6-10-12(7-8)15-11-4-2-1-3-9(11)14-10/h1-7,14H
InChIKey
DPUVPRWTWNQSOS-UHFFFAOYSA-N
Compound name
3-chloro-10H-phenothiazine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

120
Patents

233.00659 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.01387 142.4
[M+Na]+ 255.99581 153.0
[M-H]- 231.99931 145.3
[M+NH4]+ 251.04041 162.2
[M+K]+ 271.96975 145.9
[M+H-H2O]+ 216.00385 137.2
[M+HCOO]- 278.00479 152.0
[M+CH3COO]- 292.02044 154.9
[M+Na-2H]- 253.98126 149.6
[M]+ 233.00604 143.5
[M]- 233.00714 143.5
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