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

5
Patents

156.05865 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.06593 127.8
[M+Na]+ 179.04787 137.7
[M-H]- 155.05137 128.5
[M+NH4]+ 174.09247 148.3
[M+K]+ 195.02181 134.9
[M+H-H2O]+ 139.05591 122.5
[M+HCOO]- 201.05685 149.2
[M+CH3COO]- 215.07250 173.2
[M+Na-2H]- 177.03332 133.0
[M]+ 156.05810 126.6
[M]- 156.05920 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