CID 14695233

(2,2-difluoro-1-methylcyclopropyl)methanol

Structural Information

Molecular Formula
C5H8F2O
SMILES
CC1(CC1(F)F)CO
InChI
InChI=1S/C5H8F2O/c1-4(3-8)2-5(4,6)7/h8H,2-3H2,1H3
InChIKey
LVSLCFWHJCUZNL-UHFFFAOYSA-N
Compound name
(2,2-difluoro-1-methylcyclopropyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
Patents

122.05432 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.06160 117.3
[M+Na]+ 145.04354 128.6
[M-H]- 121.04704 119.3
[M+NH4]+ 140.08814 138.1
[M+K]+ 161.01748 127.9
[M+H-H2O]+ 105.05158 113.0
[M+HCOO]- 167.05252 137.7
[M+CH3COO]- 181.06817 171.8
[M+Na-2H]- 143.02899 125.6
[M]+ 122.05377 117.9
[M]- 122.05487 117.9
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