CID 2736131

2,4-bis(trifluoromethyl)benzyl alcohol

Structural Information

Molecular Formula
C9H6F6O
SMILES
C1=CC(=C(C=C1C(F)(F)F)C(F)(F)F)CO
InChI
InChI=1S/C9H6F6O/c10-8(11,12)6-2-1-5(4-16)7(3-6)9(13,14)15/h1-3,16H,4H2
InChIKey
NDHDRXKQSOFDNV-UHFFFAOYSA-N
Compound name
[2,4-bis(trifluoromethyl)phenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

214
Patents

244.03229 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.03957 165.9
[M+Na]+ 267.02151 171.1
[M+NH4]+ 262.06611 168.2
[M+K]+ 282.99545 167.0
[M-H]- 243.02501 159.2
[M+Na-2H]- 265.00696 166.4
[M]+ 244.03174 164.4
[M]- 244.03284 164.4
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