CID 170305231

2996161-28-3

Structural Information

Molecular Formula
C16H16Br2NO3P
SMILES
C1=CC2=C(C=C1Br)C3=C(N2CCCCP(=O)(O)O)C=CC(=C3)Br
InChI
InChI=1S/C16H16Br2NO3P/c17-11-3-5-15-13(9-11)14-10-12(18)4-6-16(14)19(15)7-1-2-8-23(20,21)22/h3-6,9-10H,1-2,7-8H2,(H2,20,21,22)
InChIKey
FHBHTALGJWJLNP-UHFFFAOYSA-N
Compound name
4-(3,6-dibromocarbazol-9-yl)butylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

458.92346 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.93074 197.6
[M+Na]+ 481.91268 208.1
[M-H]- 457.91618 201.9
[M+NH4]+ 476.95728 212.9
[M+K]+ 497.88662 192.1
[M+H-H2O]+ 441.92072 203.3
[M+HCOO]- 503.92166 212.4
[M+CH3COO]- 517.93731 223.1
[M+Na-2H]- 479.89813 198.9
[M]+ 458.92291 233.9
[M]- 458.92401 233.9
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