CID 75928

3,5-difluorophenol

Structural Information

Molecular Formula
C6H4F2O
SMILES
C1=C(C=C(C=C1F)F)O
InChI
InChI=1S/C6H4F2O/c7-4-1-5(8)3-6(9)2-4/h1-3,9H
InChIKey
HJSSBIMVTMYKPD-UHFFFAOYSA-N
Compound name
3,5-difluorophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

3809
Patents

130.02303 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.03031 117.6
[M+Na]+ 153.01225 127.8
[M-H]- 129.01575 118.2
[M+NH4]+ 148.05685 139.5
[M+K]+ 168.98619 125.5
[M+H-H2O]+ 113.02029 111.4
[M+HCOO]- 175.02123 139.8
[M+CH3COO]- 189.03688 169.3
[M+Na-2H]- 150.99770 124.5
[M]+ 130.02248 114.4
[M]- 130.02358 114.4
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