CID 2737813

302911-97-3

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

79
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

literature stripe

Patent stripe

patents stripe