CID 11819535

3,5-difluoro-2-nitrophenol

Structural Information

Molecular Formula
C6H3F2NO3
SMILES
C1=C(C=C(C(=C1O)[N+](=O)[O-])F)F
InChI
InChI=1S/C6H3F2NO3/c7-3-1-4(8)6(9(11)12)5(10)2-3/h1-2,10H
InChIKey
LIQHPNDCQUCZKL-UHFFFAOYSA-N
Compound name
3,5-difluoro-2-nitrophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

111
Patents

175.0081 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.015376 125.6
[M+Na]+ 197.997318 135.6
[M-H]- 174.000824 126.5
[M+NH4]+ 193.041923 144.9
[M+K]+ 213.971258 129.4
[M+H-H2O]+ 158.005360 123.7
[M+HCOO]- 220.006301 149.0
[M+CH3COO]- 234.021951 171.6
[M+Na-2H]- 195.982766 132.7
[M]+ 175.00755142 121.9
[M]- 175.00864858 121.9
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