CID 10631832

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

Structural Information

Molecular Formula
C9H10FNO3
SMILES
CC(C)OC1=C(C=CC(=C1)F)[N+](=O)[O-]
InChI
InChI=1S/C9H10FNO3/c1-6(2)14-9-5-7(10)3-4-8(9)11(12)13/h3-6H,1-2H3
InChIKey
SLRNETDLLJMLMR-UHFFFAOYSA-N
Compound name
4-fluoro-1-nitro-2-propan-2-yloxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

157
Patents

199.06447 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.07175 138.3
[M+Na]+ 222.05369 146.2
[M-H]- 198.05719 141.1
[M+NH4]+ 217.09829 157.0
[M+K]+ 238.02763 141.1
[M+H-H2O]+ 182.06173 136.4
[M+HCOO]- 244.06267 162.3
[M+CH3COO]- 258.07832 180.4
[M+Na-2H]- 220.03914 144.2
[M]+ 199.06392 137.6
[M]- 199.06502 137.6
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