CID 11672782

2-fluoro-4-nitro-1-(propan-2-yl)benzene

Structural Information

Molecular Formula
C9H10FNO2
SMILES
CC(C)C1=C(C=C(C=C1)[N+](=O)[O-])F
InChI
InChI=1S/C9H10FNO2/c1-6(2)8-4-3-7(11(12)13)5-9(8)10/h3-6H,1-2H3
InChIKey
MEKNILQFRBZDJJ-UHFFFAOYSA-N
Compound name
2-fluoro-4-nitro-1-propan-2-ylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

183.06955 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.076826 134.9
[M+Na]+ 206.058768 142.9
[M-H]- 182.062274 137.8
[M+NH4]+ 201.103373 154.4
[M+K]+ 222.032708 137.4
[M+H-H2O]+ 166.066810 133.3
[M+HCOO]- 228.067751 158.7
[M+CH3COO]- 242.083401 178.4
[M+Na-2H]- 204.044216 140.7
[M]+ 183.06900142 132.8
[M]- 183.07009858 132.8
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

patents stripe