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

19
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

literature stripe

Patent stripe

patents stripe