CID 177798339

1-fluoro-4-nitro-2-(prop-2-yn-1-yloxy)benzene

Structural Information

Molecular Formula
C9H6FNO3
SMILES
C#CCOC1=C(C=CC(=C1)[N+](=O)[O-])F
InChI
InChI=1S/C9H6FNO3/c1-2-5-14-9-6-7(11(12)13)3-4-8(9)10/h1,3-4,6H,5H2
InChIKey
PWALTPNTFZSUEY-UHFFFAOYSA-N
Compound name
1-fluoro-4-nitro-2-prop-2-ynoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.03317 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.040446 140.5
[M+Na]+ 218.022388 150.9
[M-H]- 194.025894 141.7
[M+NH4]+ 213.066993 157.0
[M+K]+ 233.996328 144.0
[M+H-H2O]+ 178.030430 132.1
[M+HCOO]- 240.031371 159.4
[M+CH3COO]- 254.047021 186.5
[M+Na-2H]- 216.007836 146.0
[M]+ 195.03262142 134.3
[M]- 195.03371858 134.3
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.