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

217
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 144.0
[M+Na]+ 267.02151 154.1
[M-H]- 243.02501 139.3
[M+NH4]+ 262.06611 161.1
[M+K]+ 282.99545 150.1
[M+H-H2O]+ 227.02955 134.4
[M+HCOO]- 289.03049 157.6
[M+CH3COO]- 303.04614 189.6
[M+Na-2H]- 265.00696 148.1
[M]+ 244.03174 135.5
[M]- 244.03284 135.5
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