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]+ 259.05522 148.0
[M+Na]+ 281.03716 157.5
[M-H]- 257.04066 143.2
[M+NH4]+ 276.08176 164.5
[M+K]+ 297.01110 153.8
[M+H-H2O]+ 241.04520 138.4
[M+HCOO]- 303.04614 160.3
[M+CH3COO]- 317.06179 193.4
[M+Na-2H]- 279.02261 150.4
[M]+ 258.04739 139.2
[M]- 258.04849 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