CID 3053333

69796-03-8

Structural Information

Molecular Formula
C16H11NO2
SMILES
C#CC1C2=CC=CC=C2C3=C1C(=CC=C3)OC(=O)N
InChI
InChI=1S/C16H11NO2/c1-2-10-11-6-3-4-7-12(11)13-8-5-9-14(15(10)13)19-16(17)18/h1,3-10H,(H2,17,18)
InChIKey
QGXUMBKNLQCFCA-UHFFFAOYSA-N
Compound name
(9-ethynyl-9H-fluoren-1-yl) carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.07898 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.08626 159.2
[M+Na]+ 272.06820 171.7
[M+NH4]+ 267.11280 164.5
[M+K]+ 288.04214 163.0
[M-H]- 248.07170 154.1
[M+Na-2H]- 270.05365 161.1
[M]+ 249.07843 158.7
[M]- 249.07953 158.7
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

No patent data available for this compound.