CID 92133501

1289114-02-8

Structural Information

Molecular Formula
C6H3FN2O3
SMILES
C1=C(C=NC(=C1F)C=O)[N+](=O)[O-]
InChI
InChI=1S/C6H3FN2O3/c7-5-1-4(9(11)12)2-8-6(5)3-10/h1-3H
InChIKey
BWQDJMUABOFWKT-UHFFFAOYSA-N
Compound name
3-fluoro-5-nitropyridine-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.01277 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.02005 126.9
[M+Na]+ 193.00199 136.5
[M-H]- 169.00549 128.8
[M+NH4]+ 188.04659 145.4
[M+K]+ 208.97593 131.0
[M+H-H2O]+ 153.01003 124.5
[M+HCOO]- 215.01097 151.7
[M+CH3COO]- 229.02662 172.1
[M+Na-2H]- 190.98744 135.9
[M]+ 170.01222 125.4
[M]- 170.01332 125.4
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

No patent data available for this compound.