CID 85471322

Resorcinol compound 26

Structural Information

Molecular Formula
C13H15F3O2
SMILES
C1CCC(CC1)C2=C(C=C(C=C2O)O)C(F)(F)F
InChI
InChI=1S/C13H15F3O2/c14-13(15,16)10-6-9(17)7-11(18)12(10)8-4-2-1-3-5-8/h6-8,17-18H,1-5H2
InChIKey
BYAFHGYCRSXCQR-UHFFFAOYSA-N
Compound name
4-cyclohexyl-5-(trifluoromethyl)benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

260.10242 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.10970 155.8
[M+Na]+ 283.09164 162.3
[M-H]- 259.09514 155.6
[M+NH4]+ 278.13624 171.3
[M+K]+ 299.06558 157.8
[M+H-H2O]+ 243.09968 147.3
[M+HCOO]- 305.10062 168.8
[M+CH3COO]- 319.11627 190.5
[M+Na-2H]- 281.07709 157.3
[M]+ 260.10187 146.6
[M]- 260.10297 146.6
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