CID 792914

144223-33-6

Structural Information

Molecular Formula
C11H7N3O2
SMILES
C1=CC=C2C(=C1)N=NN2C(=O)C3=CC=CO3
InChI
InChI=1S/C11H7N3O2/c15-11(10-6-3-7-16-10)14-9-5-2-1-4-8(9)12-13-14/h1-7H
InChIKey
AFORMRZDGRLVBW-UHFFFAOYSA-N
Compound name
benzotriazol-1-yl(furan-2-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

17
Patents

213.05383 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.06111 141.8
[M+Na]+ 236.04305 152.9
[M-H]- 212.04655 147.4
[M+NH4]+ 231.08765 159.5
[M+K]+ 252.01699 151.1
[M+H-H2O]+ 196.05109 133.8
[M+HCOO]- 258.05203 164.8
[M+CH3COO]- 272.06768 156.0
[M+Na-2H]- 234.02850 148.3
[M]+ 213.05328 145.7
[M]- 213.05438 145.7
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.