CID 60156

((2-chloro-9-acridinyl)thio)acetic acid

Structural Information

Molecular Formula
C15H10ClNO2S
SMILES
C1=CC=C2C(=C1)C(=C3C=C(C=CC3=N2)Cl)SCC(=O)O
InChI
InChI=1S/C15H10ClNO2S/c16-9-5-6-13-11(7-9)15(20-8-14(18)19)10-3-1-2-4-12(10)17-13/h1-7H,8H2,(H,18,19)
InChIKey
KAMIHUYLAJEIII-UHFFFAOYSA-N
Compound name
2-(2-chloroacridin-9-yl)sulfanylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.0121 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.01938 160.5
[M+Na]+ 326.00132 172.1
[M-H]- 302.00482 164.1
[M+NH4]+ 321.04592 177.6
[M+K]+ 341.97526 165.2
[M+H-H2O]+ 286.00936 154.8
[M+HCOO]- 348.01030 171.4
[M+CH3COO]- 362.02595 172.6
[M+Na-2H]- 323.98677 166.6
[M]+ 303.01155 167.5
[M]- 303.01265 167.5
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.