CID 172227235

(4-(2,7-dibromo-9,9-dimethylacridin-10(9h)-yl)butyl)phosphonic acid

Structural Information

Molecular Formula
C19H22Br2NO3P
SMILES
CC1(C2=C(C=CC(=C2)Br)N(C3=C1C=C(C=C3)Br)CCCCP(=O)(O)O)C
InChI
InChI=1S/C19H22Br2NO3P/c1-19(2)15-11-13(20)5-7-17(15)22(9-3-4-10-26(23,24)25)18-8-6-14(21)12-16(18)19/h5-8,11-12H,3-4,9-10H2,1-2H3,(H2,23,24,25)
InChIKey
JJAXABRAPOOXMX-UHFFFAOYSA-N
Compound name
4-(2,7-dibromo-9,9-dimethylacridin-10-yl)butylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

500.9704 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 501.97768 204.3
[M+Na]+ 523.95962 213.4
[M-H]- 499.96312 207.8
[M+NH4]+ 519.00422 218.3
[M+K]+ 539.93356 197.3
[M+H-H2O]+ 483.96766 209.7
[M+HCOO]- 545.96860 215.3
[M+CH3COO]- 559.98425 231.0
[M+Na-2H]- 521.94507 205.6
[M]+ 500.96985 239.6
[M]- 500.97095 239.6
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

No patent data available for this compound.