CID 122933

3,5-bis(trifluoromethyl)benzyl alcohol

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

614
Patents

244.03229 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.039566 144.0
[M+Na]+ 267.021508 154.1
[M-H]- 243.025014 139.3
[M+NH4]+ 262.066113 161.1
[M+K]+ 282.995448 150.1
[M+H-H2O]+ 227.029550 134.4
[M+HCOO]- 289.030491 157.6
[M+CH3COO]- 303.046141 189.6
[M+Na-2H]- 265.006956 148.1
[M]+ 244.03174142 135.5
[M]- 244.03283858 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