CID 53255569

1233951-63-7

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

199.06447 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.071746 138.3
[M+Na]+ 222.053688 146.2
[M-H]- 198.057194 141.1
[M+NH4]+ 217.098293 157.0
[M+K]+ 238.027628 141.1
[M+H-H2O]+ 182.061730 136.4
[M+HCOO]- 244.062671 162.3
[M+CH3COO]- 258.078321 180.4
[M+Na-2H]- 220.039136 144.2
[M]+ 199.06392142 137.6
[M]- 199.06501858 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