CID 57432737

2-tert-butyl-4-fluoro-5-methylphenol

Structural Information

Molecular Formula
C11H15FO
SMILES
CC1=CC(=C(C=C1F)C(C)(C)C)O
InChI
InChI=1S/C11H15FO/c1-7-5-10(13)8(6-9(7)12)11(2,3)4/h5-6,13H,1-4H3
InChIKey
QIAJAPAPIQKNDQ-UHFFFAOYSA-N
Compound name
2-tert-butyl-4-fluoro-5-methylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

182.11069 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.11797 137.6
[M+Na]+ 205.09991 147.2
[M-H]- 181.10341 139.6
[M+NH4]+ 200.14451 158.0
[M+K]+ 221.07385 144.6
[M+H-H2O]+ 165.10795 132.4
[M+HCOO]- 227.10889 157.6
[M+CH3COO]- 241.12454 182.6
[M+Na-2H]- 203.08536 142.4
[M]+ 182.11014 137.3
[M]- 182.11124 137.3
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