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

108
Patents

207.06842 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.075696 141.7
[M+Na]+ 230.057638 151.8
[M-H]- 206.061144 149.0
[M+NH4]+ 225.102243 165.1
[M+K]+ 246.031578 147.3
[M+H-H2O]+ 190.065680 135.4
[M+HCOO]- 252.066621 168.3
[M+CH3COO]- 266.082271 156.4
[M+Na-2H]- 228.043086 150.3
[M]+ 207.06787142 143.5
[M]- 207.06896858 143.5
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