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

10
Patents

170.07431 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.081586 133.1
[M+Na]+ 193.063528 142.0
[M-H]- 169.067034 133.6
[M+NH4]+ 188.108133 152.8
[M+K]+ 209.037468 139.4
[M+H-H2O]+ 153.071570 128.0
[M+HCOO]- 215.072511 152.5
[M+CH3COO]- 229.088161 175.5
[M+Na-2H]- 191.048976 139.1
[M]+ 170.07376142 131.3
[M]- 170.07485858 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