CID 82602415

1-[2-(1h-1,2,3-triazol-1-yl)phenyl]ethan-1-one

Structural Information

Molecular Formula
C10H9N3O
SMILES
CC(=O)C1=CC=CC=C1N2C=CN=N2
InChI
InChI=1S/C10H9N3O/c1-8(14)9-4-2-3-5-10(9)13-7-6-11-12-13/h2-7H,1H3
InChIKey
VCEJGOCGWVXUMU-UHFFFAOYSA-N
Compound name
1-[2-(triazol-1-yl)phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.07455 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.08183 139.4
[M+Na]+ 210.06377 153.0
[M+NH4]+ 205.10837 146.9
[M+K]+ 226.03771 148.8
[M-H]- 186.06727 141.2
[M+Na-2H]- 208.04922 147.8
[M]+ 187.07400 141.7
[M]- 187.07510 141.7
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.