CID 21561870

873697-78-0

Structural Information

Molecular Formula
C8H6FNO3
SMILES
CC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])F
InChI
InChI=1S/C8H6FNO3/c1-5(11)6-3-2-4-7(8(6)9)10(12)13/h2-4H,1H3
InChIKey
FMRFQXVFOFXBLH-UHFFFAOYSA-N
Compound name
1-(2-fluoro-3-nitrophenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

82
Patents

183.03317 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.040446 131.9
[M+Na]+ 206.022388 140.6
[M-H]- 182.025894 135.0
[M+NH4]+ 201.066993 151.3
[M+K]+ 221.996328 135.2
[M+H-H2O]+ 166.030430 130.4
[M+HCOO]- 228.031371 156.5
[M+CH3COO]- 242.047021 176.3
[M+Na-2H]- 204.007836 138.4
[M]+ 183.03262142 130.2
[M]- 183.03371858 130.2
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

patents stripe