CID 168443812

(2-(3,6-dimethyl-9h-carbazol-9-yl)ethyl)phosphonic acid

Structural Information

Molecular Formula
C16H18NO3P
SMILES
CC1=CC2=C(C=C1)N(C3=C2C=C(C=C3)C)CCP(=O)(O)O
InChI
InChI=1S/C16H18NO3P/c1-11-3-5-15-13(9-11)14-10-12(2)4-6-16(14)17(15)7-8-21(18,19)20/h3-6,9-10H,7-8H2,1-2H3,(H2,18,19,20)
InChIKey
XXFMBQVBTXVFPC-UHFFFAOYSA-N
Compound name
2-(3,6-dimethylcarbazol-9-yl)ethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

303.10242 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.109696 172.9
[M+Na]+ 326.091638 183.0
[M-H]- 302.095144 174.3
[M+NH4]+ 321.136243 190.3
[M+K]+ 342.065578 178.0
[M+H-H2O]+ 286.099680 164.5
[M+HCOO]- 348.100621 196.4
[M+CH3COO]- 362.116271 202.3
[M+Na-2H]- 324.077086 174.9
[M]+ 303.10187142 177.2
[M]- 303.10296858 177.2
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