CID 10866566

1-(fluoromethyl)-4-nitrobenzene

Structural Information

Molecular Formula
C7H6FNO2
SMILES
C1=CC(=CC=C1CF)[N+](=O)[O-]
InChI
InChI=1S/C7H6FNO2/c8-5-6-1-3-7(4-2-6)9(10)11/h1-4H,5H2
InChIKey
CJFHTFLZNPFBKF-UHFFFAOYSA-N
Compound name
1-(fluoromethyl)-4-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

79
Patents

155.03825 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.045526 126.2
[M+Na]+ 178.027468 134.4
[M-H]- 154.030974 129.0
[M+NH4]+ 173.072073 146.6
[M+K]+ 194.001408 128.9
[M+H-H2O]+ 138.035510 124.6
[M+HCOO]- 200.036451 151.7
[M+CH3COO]- 214.052101 170.5
[M+Na-2H]- 176.012916 134.9
[M]+ 155.03770142 123.7
[M]- 155.03879858 123.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe