CID 11172116

4-methoxymethyl-2,3,5,6-tetrafluorobenzyl alcohol

Structural Information

Molecular Formula
C9H8F4O2
SMILES
COCC1=C(C(=C(C(=C1F)F)CO)F)F
InChI
InChI=1S/C9H8F4O2/c1-15-3-5-8(12)6(10)4(2-14)7(11)9(5)13/h14H,2-3H2,1H3
InChIKey
YFHZSPDQKWFAPH-UHFFFAOYSA-N
Compound name
[2,3,5,6-tetrafluoro-4-(methoxymethyl)phenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

283
Patents

224.04604 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.05332 139.1
[M+Na]+ 247.03526 150.8
[M-H]- 223.03876 137.5
[M+NH4]+ 242.07986 157.8
[M+K]+ 263.00920 147.5
[M+H-H2O]+ 207.04330 130.7
[M+HCOO]- 269.04424 158.2
[M+CH3COO]- 283.05989 189.8
[M+Na-2H]- 245.02071 141.0
[M]+ 224.04549 137.2
[M]- 224.04659 137.2
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