CID 85471319

Resorcinol compound 12

Structural Information

Molecular Formula
C8H9FO2
SMILES
CCC1=C(C=C(C=C1F)O)O
InChI
InChI=1S/C8H9FO2/c1-2-6-7(9)3-5(10)4-8(6)11/h3-4,10-11H,2H2,1H3
InChIKey
GJVVTWQXSOPPFB-UHFFFAOYSA-N
Compound name
4-ethyl-5-fluorobenzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

156.05865 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.065926 127.8
[M+Na]+ 179.047868 137.7
[M-H]- 155.051374 128.5
[M+NH4]+ 174.092473 148.3
[M+K]+ 195.021808 134.9
[M+H-H2O]+ 139.055910 122.5
[M+HCOO]- 201.056851 149.2
[M+CH3COO]- 215.072501 173.2
[M+Na-2H]- 177.033316 133.0
[M]+ 156.05810142 126.6
[M]- 156.05919858 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