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

7
Patents

303.10242 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.10970 172.9
[M+Na]+ 326.09164 183.0
[M-H]- 302.09514 174.3
[M+NH4]+ 321.13624 190.3
[M+K]+ 342.06558 178.0
[M+H-H2O]+ 286.09968 164.5
[M+HCOO]- 348.10062 196.4
[M+CH3COO]- 362.11627 202.3
[M+Na-2H]- 324.07709 174.9
[M]+ 303.10187 177.2
[M]- 303.10297 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