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

10
Patents

183.06955 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.07683 134.9
[M+Na]+ 206.05877 142.9
[M-H]- 182.06227 137.8
[M+NH4]+ 201.10337 154.4
[M+K]+ 222.03271 137.4
[M+H-H2O]+ 166.06681 133.3
[M+HCOO]- 228.06775 158.7
[M+CH3COO]- 242.08340 178.4
[M+Na-2H]- 204.04422 140.7
[M]+ 183.06900 132.8
[M]- 183.07010 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