CID 75176207

1-{1-[(4-fluorophenyl)methyl]-1h-1,2,3-triazol-4-yl}ethan-1-ol

Structural Information

Molecular Formula
C11H12FN3O
SMILES
CC(C1=CN(N=N1)CC2=CC=C(C=C2)F)O
InChI
InChI=1S/C11H12FN3O/c1-8(16)11-7-15(14-13-11)6-9-2-4-10(12)5-3-9/h2-5,7-8,16H,6H2,1H3
InChIKey
YKRBNKUQFRWTNW-UHFFFAOYSA-N
Compound name
1-[1-[(4-fluorophenyl)methyl]triazol-4-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

221.09644 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.10372 147.0
[M+Na]+ 244.08566 156.0
[M-H]- 220.08916 147.6
[M+NH4]+ 239.13026 162.5
[M+K]+ 260.05960 152.2
[M+H-H2O]+ 204.09370 137.5
[M+HCOO]- 266.09464 165.9
[M+CH3COO]- 280.11029 186.3
[M+Na-2H]- 242.07111 150.4
[M]+ 221.09589 146.0
[M]- 221.09699 146.0
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