CID 86672158

1221119-68-1

Structural Information

Molecular Formula
C8H8FNO3
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])F)CCO
InChI
InChI=1S/C8H8FNO3/c9-8-5-7(10(12)13)2-1-6(8)3-4-11/h1-2,5,11H,3-4H2
InChIKey
MVVPCXHRMBDTBV-UHFFFAOYSA-N
Compound name
2-(2-fluoro-4-nitrophenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

185.04883 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.056106 133.8
[M+Na]+ 208.038048 141.9
[M-H]- 184.041554 135.3
[M+NH4]+ 203.082653 152.4
[M+K]+ 224.011988 135.6
[M+H-H2O]+ 168.046090 132.2
[M+HCOO]- 230.047031 157.6
[M+CH3COO]- 244.062681 173.8
[M+Na-2H]- 206.023496 140.9
[M]+ 185.04828142 131.5
[M]- 185.04937858 131.5
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