CID 55267292

(1-(fluoromethyl)cyclopropyl)methanol

Structural Information

Molecular Formula
C5H9FO
SMILES
C1CC1(CO)CF
InChI
InChI=1S/C5H9FO/c6-3-5(4-7)1-2-5/h7H,1-4H2
InChIKey
IRFLMQHCAJMPCS-UHFFFAOYSA-N
Compound name
[1-(fluoromethyl)cyclopropyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
Patents

104.06374 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 105.071016 117.3
[M+Na]+ 127.052958 127.1
[M-H]- 103.056464 119.9
[M+NH4]+ 122.097563 136.8
[M+K]+ 143.026898 126.0
[M+H-H2O]+ 87.061000 112.4
[M+HCOO]- 149.061941 139.2
[M+CH3COO]- 163.077591 168.2
[M+Na-2H]- 125.038406 125.6
[M]+ 104.06319142 118.2
[M]- 104.06428858 118.2
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

patents stripe