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

97
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 141.7
[M+Na]+ 230.05764 151.8
[M-H]- 206.06114 149.0
[M+NH4]+ 225.10224 165.1
[M+K]+ 246.03158 147.3
[M+H-H2O]+ 190.06568 135.4
[M+HCOO]- 252.06662 168.3
[M+CH3COO]- 266.08227 156.4
[M+Na-2H]- 228.04309 150.3
[M]+ 207.06787 143.5
[M]- 207.06897 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