CID 267542

2-chloro-10-(2-chloropropyl)phenothiazine

Structural Information

Molecular Formula
C15H13Cl2NS
SMILES
CC(CN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl)Cl
InChI
InChI=1S/C15H13Cl2NS/c1-10(16)9-18-12-4-2-3-5-14(12)19-15-7-6-11(17)8-13(15)18/h2-8,10H,9H2,1H3
InChIKey
WMLOGBMMUXVWHK-UHFFFAOYSA-N
Compound name
2-chloro-10-(2-chloropropyl)phenothiazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.0146 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.02188 161.5
[M+Na]+ 332.00382 171.7
[M-H]- 308.00732 164.8
[M+NH4]+ 327.04842 179.4
[M+K]+ 347.97776 164.6
[M+H-H2O]+ 292.01186 156.2
[M+HCOO]- 354.01280 165.4
[M+CH3COO]- 368.02845 172.7
[M+Na-2H]- 329.98927 165.0
[M]+ 309.01405 166.3
[M]- 309.01515 166.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.