CID 600210

2,6-difluoro-4-nitrophenol

Structural Information

Molecular Formula
C6H3F2NO3
SMILES
C1=C(C=C(C(=C1F)O)F)[N+](=O)[O-]
InChI
InChI=1S/C6H3F2NO3/c7-4-1-3(9(11)12)2-5(8)6(4)10/h1-2,10H
InChIKey
KVVXRISUSPIMLJ-UHFFFAOYSA-N
Compound name
2,6-difluoro-4-nitrophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

240
Patents

175.0081 Da
Monoisotopic Mass

1.6
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

literature stripe

Patent stripe

patents stripe