CID 395387

Nsc699923

Structural Information

Molecular Formula
C15H12ClNS
SMILES
C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)SCCCl
InChI
InChI=1S/C15H12ClNS/c16-9-10-18-15-11-5-1-3-7-13(11)17-14-8-4-2-6-12(14)15/h1-8H,9-10H2
InChIKey
BWGAICSQKUMIJL-UHFFFAOYSA-N
Compound name
9-(2-chloroethylsulfanyl)acridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.0379 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.04518 154.7
[M+Na]+ 296.02712 166.5
[M-H]- 272.03062 159.2
[M+NH4]+ 291.07172 173.7
[M+K]+ 312.00106 159.1
[M+H-H2O]+ 256.03516 148.4
[M+HCOO]- 318.03610 167.6
[M+CH3COO]- 332.05175 167.5
[M+Na-2H]- 294.01257 162.5
[M]+ 273.03735 161.4
[M]- 273.03845 161.4
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.