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

94
Patents

104.06374 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 105.07102 117.3
[M+Na]+ 127.05296 127.1
[M-H]- 103.05646 119.9
[M+NH4]+ 122.09756 136.8
[M+K]+ 143.02690 126.0
[M+H-H2O]+ 87.061000 112.4
[M+HCOO]- 149.06194 139.2
[M+CH3COO]- 163.07759 168.2
[M+Na-2H]- 125.03841 125.6
[M]+ 104.06319 118.2
[M]- 104.06429 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