CID 75176210

1355359-02-2

Structural Information

Molecular Formula
C11H10FN3O
SMILES
CC(=O)C1=CN(N=N1)CC2=CC=C(C=C2)F
InChI
InChI=1S/C11H10FN3O/c1-8(16)11-7-15(14-13-11)6-9-2-4-10(12)5-3-9/h2-5,7H,6H2,1H3
InChIKey
PWOPOMVMAIZNGN-UHFFFAOYSA-N
Compound name
1-[1-[(4-fluorophenyl)methyl]triazol-4-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.0808 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.08808 145.4
[M+Na]+ 242.07002 155.2
[M-H]- 218.07352 147.4
[M+NH4]+ 237.11462 161.6
[M+K]+ 258.04396 151.7
[M+H-H2O]+ 202.07806 135.7
[M+HCOO]- 264.07900 166.0
[M+CH3COO]- 278.09465 188.1
[M+Na-2H]- 240.05547 149.3
[M]+ 219.08025 145.6
[M]- 219.08135 145.6
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.