CID 74829

2010-61-9

Structural Information

Molecular Formula
C10H8F6O
SMILES
CC1=CC=C(C=C1)C(C(F)(F)F)(C(F)(F)F)O
InChI
InChI=1S/C10H8F6O/c1-6-2-4-7(5-3-6)8(17,9(11,12)13)10(14,15)16/h2-5,17H,1H3
InChIKey
AOAVZPXKNQAALI-UHFFFAOYSA-N
Compound name
1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

412
Patents

258.04794 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.055216 148.6
[M+Na]+ 281.037158 157.8
[M-H]- 257.040664 143.7
[M+NH4]+ 276.081763 164.9
[M+K]+ 297.011098 154.1
[M+H-H2O]+ 241.045200 139.1
[M+HCOO]- 303.046141 160.3
[M+CH3COO]- 317.061791 192.0
[M+Na-2H]- 279.022606 153.7
[M]+ 258.04739142 139.4
[M]- 258.04848858 139.4
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