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]+ 250.086256 164.0
[M+Na]+ 272.068198 176.3
[M-H]- 248.071704 167.2
[M+NH4]+ 267.112803 182.4
[M+K]+ 288.042138 167.5
[M+H-H2O]+ 232.076240 152.0
[M+HCOO]- 294.077181 180.7
[M+CH3COO]- 308.092831 174.7
[M+Na-2H]- 270.053646 166.4
[M]+ 249.07843142 159.1
[M]- 249.07952858 159.1
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.