CID 103690307

3,5-dichloro-4-fluorophenol

Structural Information

Molecular Formula
C6H3Cl2FO
SMILES
C1=C(C=C(C(=C1Cl)F)Cl)O
InChI
InChI=1S/C6H3Cl2FO/c7-4-1-3(10)2-5(8)6(4)9/h1-2,10H
InChIKey
YCDCEIPNXTXMTJ-UHFFFAOYSA-N
Compound name
3,5-dichloro-4-fluorophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

179.9545 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.96178 125.2
[M+Na]+ 202.94372 137.4
[M-H]- 178.94722 126.6
[M+NH4]+ 197.98832 146.6
[M+K]+ 218.91766 132.0
[M+H-H2O]+ 162.95176 121.9
[M+HCOO]- 224.95270 138.8
[M+CH3COO]- 238.96835 176.5
[M+Na-2H]- 200.92917 130.9
[M]+ 179.95395 126.6
[M]- 179.95505 126.6
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