CID 75511371

2,2-difluoro-2-(1-methyl-1h-imidazol-2-yl)ethan-1-olhydrochloride

Structural Information

Molecular Formula
C6H8F2N2O
SMILES
CN1C=CN=C1C(CO)(F)F
InChI
InChI=1S/C6H8F2N2O/c1-10-3-2-9-5(10)6(7,8)4-11/h2-3,11H,4H2,1H3
InChIKey
RHSIXBRAPFUKHB-UHFFFAOYSA-N
Compound name
2,2-difluoro-2-(1-methylimidazol-2-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

162.06047 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.06775 129.6
[M+Na]+ 185.04969 139.2
[M-H]- 161.05319 127.1
[M+NH4]+ 180.09429 149.0
[M+K]+ 201.02363 137.3
[M+H-H2O]+ 145.05773 122.0
[M+HCOO]- 207.05867 148.3
[M+CH3COO]- 221.07432 174.0
[M+Na-2H]- 183.03514 135.3
[M]+ 162.05992 127.2
[M]- 162.06102 127.2
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

No patent data available for this compound.