CID 68042

3-fluoro-1-propanol

Structural Information

Molecular Formula
C3H7FO
SMILES
C(CO)CF
InChI
InChI=1S/C3H7FO/c4-2-1-3-5/h5H,1-3H2
InChIKey
NLRJUIXKEMCEOH-UHFFFAOYSA-N
Compound name
3-fluoropropan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

7903
Patents

78.048096 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 79.055372 110.8
[M+Na]+ 101.03731 118.9
[M-H]- 77.040820 108.8
[M+NH4]+ 96.081919 134.4
[M+K]+ 117.01125 118.7
[M+H-H2O]+ 61.045356 106.4
[M+HCOO]- 123.04630 133.3
[M+CH3COO]- 137.06195 160.1
[M+Na-2H]- 99.022762 118.6
[M]+ 78.047547 109.3
[M]- 78.048645 109.3
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