CID 12377535

(2-fluoro-5-nitrophenyl)(phenyl)methanone

Structural Information

Molecular Formula
C13H8FNO3
SMILES
C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])F
InChI
InChI=1S/C13H8FNO3/c14-12-7-6-10(15(17)18)8-11(12)13(16)9-4-2-1-3-5-9/h1-8H
InChIKey
WVVGJJXQPIOHNV-UHFFFAOYSA-N
Compound name
(2-fluoro-5-nitrophenyl)-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

116
Patents

245.04883 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.05611 149.7
[M+Na]+ 268.03805 157.0
[M-H]- 244.04155 155.5
[M+NH4]+ 263.08265 165.8
[M+K]+ 284.01199 149.8
[M+H-H2O]+ 228.04609 146.1
[M+HCOO]- 290.04703 173.8
[M+CH3COO]- 304.06268 187.3
[M+Na-2H]- 266.02350 156.0
[M]+ 245.04828 147.1
[M]- 245.04938 147.1
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