CID 7063912

[1-(difluoromethyl)-1h-imidazol-2-yl]methanol

Structural Information

Molecular Formula
C5H6F2N2O
SMILES
C1=CN(C(=N1)CO)C(F)F
InChI
InChI=1S/C5H6F2N2O/c6-5(7)9-2-1-8-4(9)3-10/h1-2,5,10H,3H2
InChIKey
XDBVTLKZYRPEBI-UHFFFAOYSA-N
Compound name
[1-(difluoromethyl)imidazol-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

10
Patents

148.04482 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.05210 124.4
[M+Na]+ 171.03404 133.7
[M-H]- 147.03754 121.8
[M+NH4]+ 166.07864 144.2
[M+K]+ 187.00798 132.1
[M+H-H2O]+ 131.04208 116.2
[M+HCOO]- 193.04302 144.0
[M+CH3COO]- 207.05867 171.5
[M+Na-2H]- 169.01949 128.8
[M]+ 148.04427 121.6
[M]- 148.04537 121.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe