CID 6481673

959675-81-1

Structural Information

Molecular Formula
C10H9N3O
SMILES
C1=CC=C(C=C1)C(=O)CN2N=CC=N2
InChI
InChI=1S/C10H9N3O/c14-10(8-13-11-6-7-12-13)9-4-2-1-3-5-9/h1-7H,8H2
InChIKey
USGQFWSEBWJWOJ-UHFFFAOYSA-N
Compound name
1-phenyl-2-(triazol-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

187.07455 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.08183 138.5
[M+Na]+ 210.06377 146.8
[M-H]- 186.06727 141.3
[M+NH4]+ 205.10837 155.4
[M+K]+ 226.03771 144.1
[M+H-H2O]+ 170.07181 129.4
[M+HCOO]- 232.07275 160.4
[M+CH3COO]- 246.08840 151.3
[M+Na-2H]- 208.04922 144.9
[M]+ 187.07400 138.6
[M]- 187.07510 138.6
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.