CID 69920

10-(chloroacetyl)-10h-phenothiazine

Structural Information

Molecular Formula
C14H10ClNOS
SMILES
C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)CCl
InChI
InChI=1S/C14H10ClNOS/c15-9-14(17)16-10-5-1-3-7-12(10)18-13-8-4-2-6-11(13)16/h1-8H,9H2
InChIKey
NVRFGQJNKQLUPU-UHFFFAOYSA-N
Compound name
2-chloro-1-phenothiazin-10-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

23
Patents

275.01715 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.02443 154.7
[M+Na]+ 298.00637 164.6
[M-H]- 274.00987 158.7
[M+NH4]+ 293.05097 173.3
[M+K]+ 313.98031 158.5
[M+H-H2O]+ 258.01441 148.7
[M+HCOO]- 320.01535 164.5
[M+CH3COO]- 334.03100 166.7
[M+Na-2H]- 295.99182 160.3
[M]+ 275.01660 158.4
[M]- 275.01770 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