CID 170305233

Br-2pacz

Structural Information

Molecular Formula
C14H12Br2NO3P
SMILES
C1=CC2=C(C=C1Br)C3=C(N2CCP(=O)(O)O)C=CC(=C3)Br
InChI
InChI=1S/C14H12Br2NO3P/c15-9-1-3-13-11(7-9)12-8-10(16)2-4-14(12)17(13)5-6-21(18,19)20/h1-4,7-8H,5-6H2,(H2,18,19,20)
InChIKey
WSKHKHPOXQBLPZ-UHFFFAOYSA-N
Compound name
2-(3,6-dibromocarbazol-9-yl)ethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

430.89215 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.89943 189.2
[M+Na]+ 453.88137 200.5
[M-H]- 429.88487 193.8
[M+NH4]+ 448.92597 205.4
[M+K]+ 469.85531 184.8
[M+H-H2O]+ 413.88941 195.2
[M+HCOO]- 475.89035 204.6
[M+CH3COO]- 489.90600 218.6
[M+Na-2H]- 451.86682 191.4
[M]+ 430.89160 225.0
[M]- 430.89270 225.0
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

patents stripe