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 164.0
[M+Na]+ 272.06820 176.3
[M-H]- 248.07170 167.2
[M+NH4]+ 267.11280 182.4
[M+K]+ 288.04214 167.5
[M+H-H2O]+ 232.07624 152.0
[M+HCOO]- 294.07718 180.7
[M+CH3COO]- 308.09283 174.7
[M+Na-2H]- 270.05365 166.4
[M]+ 249.07843 159.1
[M]- 249.07953 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.