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

20
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

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