CID 103483948

En300-4483193

Structural Information

Molecular Formula
C9H5BrFNO3
SMILES
C#CCOC1=CC(=C(C=C1[N+](=O)[O-])Br)F
InChI
InChI=1S/C9H5BrFNO3/c1-2-3-15-9-5-7(11)6(10)4-8(9)12(13)14/h1,4-5H,3H2
InChIKey
LIASLJCNFSMTGS-UHFFFAOYSA-N
Compound name
1-bromo-2-fluoro-5-nitro-4-prop-2-ynoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.9437 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.95098 149.3
[M+Na]+ 295.93292 163.3
[M-H]- 271.93642 152.1
[M+NH4]+ 290.97752 166.5
[M+K]+ 311.90686 148.1
[M+H-H2O]+ 255.94096 146.0
[M+HCOO]- 317.94190 168.1
[M+CH3COO]- 331.95755 196.5
[M+Na-2H]- 293.91837 155.0
[M]+ 272.94315 160.8
[M]- 272.94425 160.8
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.