CID 76223346

2-amino-4,4-difluoropentan-1-ol hydrochloride

Structural Information

Molecular Formula
C5H11F2NO
SMILES
CC(CC(CO)N)(F)F
InChI
InChI=1S/C5H11F2NO/c1-5(6,7)2-4(8)3-9/h4,9H,2-3,8H2,1H3
InChIKey
HBXHUIJKWVUIOJ-UHFFFAOYSA-N
Compound name
2-amino-4,4-difluoropentan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

139.08087 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.08815 127.4
[M+Na]+ 162.07009 134.0
[M-H]- 138.07359 123.3
[M+NH4]+ 157.11469 147.8
[M+K]+ 178.04403 133.1
[M+H-H2O]+ 122.07813 121.6
[M+HCOO]- 184.07907 145.9
[M+CH3COO]- 198.09472 174.2
[M+Na-2H]- 160.05554 131.7
[M]+ 139.08032 122.3
[M]- 139.08142 122.3
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

No patent data available for this compound.