CID 66523445

1240257-07-1

Structural Information

Molecular Formula
C8H6F4O2
SMILES
C1=CC(=C(C=C1OC(F)(F)F)F)CO
InChI
InChI=1S/C8H6F4O2/c9-7-3-6(14-8(10,11)12)2-1-5(7)4-13/h1-3,13H,4H2
InChIKey
BBHRDCVRVNBYCO-UHFFFAOYSA-N
Compound name
[2-fluoro-4-(trifluoromethoxy)phenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

210.0304 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.03768 136.5
[M+Na]+ 233.01962 146.4
[M-H]- 209.02312 134.2
[M+NH4]+ 228.06422 155.0
[M+K]+ 248.99356 143.5
[M+H-H2O]+ 193.02766 128.2
[M+HCOO]- 255.02860 154.4
[M+CH3COO]- 269.04425 182.8
[M+Na-2H]- 231.00507 141.6
[M]+ 210.02985 132.4
[M]- 210.03095 132.4
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