CID 3673441

9h-fluoren-9-yl isocyanate

Structural Information

Molecular Formula
C14H9NO
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)N=C=O
InChI
InChI=1S/C14H9NO/c16-9-15-14-12-7-3-1-5-10(12)11-6-2-4-8-13(11)14/h1-8,14H
InChIKey
ZCUDVRDYVSFUTC-UHFFFAOYSA-N
Compound name
9-isocyanato-9H-fluorene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

93
Patents

207.06842 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.07570 143.4
[M+Na]+ 230.05764 158.0
[M+NH4]+ 225.10224 153.9
[M+K]+ 246.03158 150.7
[M-H]- 206.06114 148.0
[M+Na-2H]- 228.04309 151.1
[M]+ 207.06787 146.8
[M]- 207.06897 146.8
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