CID 4118622

9h-fluoren-2-yl isocyanate

Structural Information

Molecular Formula
C14H9NO
SMILES
C1C2=CC=CC=C2C3=C1C=C(C=C3)N=C=O
InChI
InChI=1S/C14H9NO/c16-9-15-12-5-6-14-11(8-12)7-10-3-1-2-4-13(10)14/h1-6,8H,7H2
InChIKey
HJROCLJFUOYQNP-UHFFFAOYSA-N
Compound name
2-isocyanato-9H-fluorene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

123
Patents

207.06842 Da
Monoisotopic Mass

4.6
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

literature stripe

Patent stripe

patents stripe