CID 68492217

2-fluoro-4-(2-hydroxypropan-2-yl)phenol

Structural Information

Molecular Formula
C9H11FO2
SMILES
CC(C)(C1=CC(=C(C=C1)O)F)O
InChI
InChI=1S/C9H11FO2/c1-9(2,12)6-3-4-8(11)7(10)5-6/h3-5,11-12H,1-2H3
InChIKey
OYKUYFZOPABONW-UHFFFAOYSA-N
Compound name
2-fluoro-4-(2-hydroxypropan-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

170.07431 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.08159 133.1
[M+Na]+ 193.06353 142.0
[M-H]- 169.06703 133.6
[M+NH4]+ 188.10813 152.8
[M+K]+ 209.03747 139.4
[M+H-H2O]+ 153.07157 128.0
[M+HCOO]- 215.07251 152.5
[M+CH3COO]- 229.08816 175.5
[M+Na-2H]- 191.04898 139.1
[M]+ 170.07376 131.3
[M]- 170.07486 131.3
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