CID 10198220

10096-91-0

Structural Information

Molecular Formula
C12H9N3O
SMILES
C1=CC=C(C(=C1)N2N=C3C=CC=CC3=N2)O
InChI
InChI=1S/C12H9N3O/c16-12-8-4-3-7-11(12)15-13-9-5-1-2-6-10(9)14-15/h1-8,16H
InChIKey
FJGQBLRYBUAASW-UHFFFAOYSA-N
Compound name
2-(benzotriazol-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

19659
Patents

211.07455 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.081826 143.5
[M+Na]+ 234.063768 154.9
[M-H]- 210.067274 147.0
[M+NH4]+ 229.108373 160.5
[M+K]+ 250.037708 149.7
[M+H-H2O]+ 194.071810 134.9
[M+HCOO]- 256.072751 165.4
[M+CH3COO]- 270.088401 156.8
[M+Na-2H]- 232.049216 152.0
[M]+ 211.07400142 144.8
[M]- 211.07509858 144.8
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