CID 10535110

2-tert-butyl-4-fluorophenol

Structural Information

Molecular Formula
C10H13FO
SMILES
CC(C)(C)C1=C(C=CC(=C1)F)O
InChI
InChI=1S/C10H13FO/c1-10(2,3)8-6-7(11)4-5-9(8)12/h4-6,12H,1-3H3
InChIKey
FCERNOPRZOOFSL-UHFFFAOYSA-N
Compound name
2-tert-butyl-4-fluorophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

153
Patents

168.09505 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.10233 133.7
[M+Na]+ 191.08427 142.9
[M-H]- 167.08777 135.5
[M+NH4]+ 186.12887 154.5
[M+K]+ 207.05821 140.4
[M+H-H2O]+ 151.09231 128.5
[M+HCOO]- 213.09325 154.2
[M+CH3COO]- 227.10890 178.4
[M+Na-2H]- 189.06972 139.8
[M]+ 168.09450 132.7
[M]- 168.09560 132.7
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