CID 395388

Nsc699924

Structural Information

Molecular Formula
C15H12ClNOS
SMILES
C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)S(=O)CCCl
InChI
InChI=1S/C15H12ClNOS/c16-9-10-19(18)15-11-5-1-3-7-13(11)17-14-8-4-2-6-12(14)15/h1-8H,9-10H2
InChIKey
SWDGVAWVKVTANO-UHFFFAOYSA-N
Compound name
9-(2-chloroethylsulfinyl)acridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.0328 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.04008 157.9
[M+Na]+ 312.02202 169.4
[M-H]- 288.02552 162.5
[M+NH4]+ 307.06662 176.1
[M+K]+ 327.99596 162.5
[M+H-H2O]+ 272.03006 151.7
[M+HCOO]- 334.03100 170.1
[M+CH3COO]- 348.04665 170.5
[M+Na-2H]- 310.00747 164.8
[M]+ 289.03225 164.8
[M]- 289.03335 164.8
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.