CID 17271

2-nitrosofluorene

Structural Information

Molecular Formula
C13H9NO
SMILES
C1C2=CC=CC=C2C3=C1C=C(C=C3)N=O
InChI
InChI=1S/C13H9NO/c15-14-11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)13/h1-6,8H,7H2
InChIKey
XZWGJDANCSXBDW-UHFFFAOYSA-N
Compound name
2-nitroso-9H-fluorene
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

28
References

5
Patents

195.06842 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.075696 137.7
[M+Na]+ 218.057638 147.9
[M-H]- 194.061144 145.2
[M+NH4]+ 213.102243 161.7
[M+K]+ 234.031578 144.3
[M+H-H2O]+ 178.065680 131.6
[M+HCOO]- 240.066621 164.5
[M+CH3COO]- 254.082271 152.9
[M+Na-2H]- 216.043086 147.0
[M]+ 195.06787142 140.0
[M]- 195.06896858 140.0
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