CID 113564363

[1-(2,2-difluoro-2-phenylethyl)-1h-1,2,3-triazol-4-yl]methanol

Structural Information

Molecular Formula
C11H11F2N3O
SMILES
C1=CC=C(C=C1)C(CN2C=C(N=N2)CO)(F)F
InChI
InChI=1S/C11H11F2N3O/c12-11(13,9-4-2-1-3-5-9)8-16-6-10(7-17)14-15-16/h1-6,17H,7-8H2
InChIKey
QQULSAWGPHTIAU-UHFFFAOYSA-N
Compound name
[1-(2,2-difluoro-2-phenylethyl)triazol-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.08702 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.09430 150.2
[M+Na]+ 262.07624 158.9
[M-H]- 238.07974 149.2
[M+NH4]+ 257.12084 164.6
[M+K]+ 278.05018 154.6
[M+H-H2O]+ 222.08428 139.9
[M+HCOO]- 284.08522 167.2
[M+CH3COO]- 298.10087 187.5
[M+Na-2H]- 260.06169 155.5
[M]+ 239.08647 147.7
[M]- 239.08757 147.7
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.