CID 101671

1-fluoropropan-2-ol

Structural Information

Molecular Formula
C3H7FO
SMILES
CC(CF)O
InChI
InChI=1S/C3H7FO/c1-3(5)2-4/h3,5H,2H2,1H3
InChIKey
WPUWNCWLDZMYSC-UHFFFAOYSA-N
Compound name
1-fluoropropan-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1527
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 111.3
[M+Na]+ 101.03731 119.1
[M-H]- 77.040820 109.4
[M+NH4]+ 96.081919 134.8
[M+K]+ 117.01125 119.4
[M+H-H2O]+ 61.045356 106.9
[M+HCOO]- 123.04630 132.8
[M+CH3COO]- 137.06195 161.0
[M+Na-2H]- 99.022762 117.7
[M]+ 78.047547 109.1
[M]- 78.048645 109.1
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