CID 87864

Phenothiazine-10-carbonyl chloride

Structural Information

Molecular Formula
C13H8ClNOS
SMILES
C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)Cl
InChI
InChI=1S/C13H8ClNOS/c14-13(16)15-9-5-1-3-7-11(9)17-12-8-4-2-6-10(12)15/h1-8H
InChIKey
MJRIZSDRKPPHTK-UHFFFAOYSA-N
Compound name
phenothiazine-10-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

233
Patents

261.00153 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.008806 150.2
[M+Na]+ 283.990748 160.5
[M-H]- 259.994254 154.4
[M+NH4]+ 279.035353 169.3
[M+K]+ 299.964688 154.6
[M+H-H2O]+ 243.998790 144.4
[M+HCOO]- 305.999731 160.3
[M+CH3COO]- 320.015381 162.6
[M+Na-2H]- 281.976196 156.2
[M]+ 261.00098142 153.5
[M]- 261.00207858 153.5
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