CID 45790936

364-47-6

Structural Information

Molecular Formula
C10H8F6O
SMILES
CC(C1=C(C=CC(=C1)C(F)(F)F)C(F)(F)F)O
InChI
InChI=1S/C10H8F6O/c1-5(17)7-4-6(9(11,12)13)2-3-8(7)10(14,15)16/h2-5,17H,1H3
InChIKey
JQSGCKQDLFXCFT-UHFFFAOYSA-N
Compound name
1-[2,5-bis(trifluoromethyl)phenyl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

258.04794 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.055216 148.0
[M+Na]+ 281.037158 157.5
[M-H]- 257.040664 143.2
[M+NH4]+ 276.081763 164.5
[M+K]+ 297.011098 153.8
[M+H-H2O]+ 241.045200 138.4
[M+HCOO]- 303.046141 160.3
[M+CH3COO]- 317.061791 193.4
[M+Na-2H]- 279.022606 150.4
[M]+ 258.04739142 139.2
[M]- 258.04848858 139.2
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