CID 84763078

[4-(fluoromethyl)oxan-4-yl]methanol

Structural Information

Molecular Formula
C7H13FO2
SMILES
C1COCCC1(CO)CF
InChI
InChI=1S/C7H13FO2/c8-5-7(6-9)1-3-10-4-2-7/h9H,1-6H2
InChIKey
JNQMZCORSJHLAQ-UHFFFAOYSA-N
Compound name
[4-(fluoromethyl)oxan-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

148.08995 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.09723 129.7
[M+Na]+ 171.07917 135.4
[M-H]- 147.08267 130.8
[M+NH4]+ 166.12377 150.8
[M+K]+ 187.05311 135.6
[M+H-H2O]+ 131.08721 124.4
[M+HCOO]- 193.08815 147.6
[M+CH3COO]- 207.10380 169.9
[M+Na-2H]- 169.06462 137.1
[M]+ 148.08940 125.4
[M]- 148.09050 125.4
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

No patent data available for this compound.