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]+ 175.03136 127.2
[M+Na]+ 197.01330 135.6
[M-H]- 173.01680 127.4
[M+NH4]+ 192.05790 145.3
[M+K]+ 212.98724 130.2
[M+H-H2O]+ 157.02134 123.9
[M+HCOO]- 219.02228 149.7
[M+CH3COO]- 233.03793 173.6
[M+Na-2H]- 194.99875 135.1
[M]+ 174.02353 123.0
[M]- 174.02463 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.