CID 130094452

3-(difluoromethyl)-2-nitropyridine

Structural Information

Molecular Formula
C6H4F2N2O2
SMILES
C1=CC(=C(N=C1)[N+](=O)[O-])C(F)F
InChI
InChI=1S/C6H4F2N2O2/c7-5(8)4-2-1-3-9-6(4)10(11)12/h1-3,5H
InChIKey
SIOKMXYIQKHUGW-UHFFFAOYSA-N
Compound name
3-(difluoromethyl)-2-nitropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.02408 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.031356 127.2
[M+Na]+ 197.013298 135.6
[M-H]- 173.016804 127.4
[M+NH4]+ 192.057903 145.3
[M+K]+ 212.987238 130.2
[M+H-H2O]+ 157.021340 123.9
[M+HCOO]- 219.022281 149.7
[M+CH3COO]- 233.037931 173.6
[M+Na-2H]- 194.998746 135.1
[M]+ 174.02353142 123.0
[M]- 174.02462858 123.0
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.