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

48
Patents

210.0304 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.037676 136.5
[M+Na]+ 233.019618 146.4
[M-H]- 209.023124 134.2
[M+NH4]+ 228.064223 155.0
[M+K]+ 248.993558 143.5
[M+H-H2O]+ 193.027660 128.2
[M+HCOO]- 255.028601 154.4
[M+CH3COO]- 269.044251 182.8
[M+Na-2H]- 231.005066 141.6
[M]+ 210.02985142 132.4
[M]- 210.03094858 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