CID 139022398

2,4-difluoro-1-(2-nitroethyl)benzene

Structural Information

Molecular Formula
C8H7F2NO2
SMILES
C1=CC(=C(C=C1F)F)CC[N+](=O)[O-]
InChI
InChI=1S/C8H7F2NO2/c9-7-2-1-6(8(10)5-7)3-4-11(12)13/h1-2,5H,3-4H2
InChIKey
BEUVKIJDAATYLY-UHFFFAOYSA-N
Compound name
2,4-difluoro-1-(2-nitroethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.04448 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.05176 132.9
[M+Na]+ 210.03370 141.6
[M-H]- 186.03720 134.5
[M+NH4]+ 205.07830 152.2
[M+K]+ 226.00764 135.4
[M+H-H2O]+ 170.04174 130.3
[M+HCOO]- 232.04268 157.0
[M+CH3COO]- 246.05833 177.5
[M+Na-2H]- 208.01915 139.9
[M]+ 187.04393 130.0
[M]- 187.04503 130.0
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.