CID 170216

39508-27-5

Structural Information

Molecular Formula
C9H12FN2O2
SMILES
C[N+](C)(C)C1=CC(=C(C=C1)F)[N+](=O)[O-]
InChI
InChI=1S/C9H12FN2O2/c1-12(2,3)7-4-5-8(10)9(6-7)11(13)14/h4-6H,1-3H3/q+1
InChIKey
WCXDBPJBEOUTRA-UHFFFAOYSA-N
Compound name
(4-fluoro-3-nitrophenyl)-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

17
Patents

199.08829 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.09557 137.0
[M+Na]+ 222.07751 145.0
[M-H]- 198.08101 141.6
[M+NH4]+ 217.12211 156.1
[M+K]+ 238.05145 134.5
[M+H-H2O]+ 182.08555 138.1
[M+HCOO]- 244.08649 161.8
[M+CH3COO]- 258.10214 179.4
[M+Na-2H]- 220.06296 148.2
[M]+ 199.08774 134.3
[M]- 199.08884 134.3
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