CID 9923

2,3,4,5,6-pentafluorobenzyl alcohol

Structural Information

Molecular Formula
C7H3F5O
SMILES
C(C1=C(C(=C(C(=C1F)F)F)F)F)O
InChI
InChI=1S/C7H3F5O/c8-3-2(1-13)4(9)6(11)7(12)5(3)10/h13H,1H2
InChIKey
PGJYYCIOYBZTPU-UHFFFAOYSA-N
Compound name
(2,3,4,5,6-pentafluorophenyl)methanol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

14
References

953
Patents

198.0104 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.017676 129.2
[M+Na]+ 220.999618 141.9
[M-H]- 197.003124 126.6
[M+NH4]+ 216.044223 148.9
[M+K]+ 236.973558 138.0
[M+H-H2O]+ 181.007660 120.6
[M+HCOO]- 243.008601 147.7
[M+CH3COO]- 257.024251 184.6
[M+Na-2H]- 218.985066 131.6
[M]+ 198.00985142 123.8
[M]- 198.01094858 123.8
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