CID 614392

2-(2h-benzotriazol-2-yl)-5-methylphenol

Structural Information

Molecular Formula
C13H11N3O
SMILES
CC1=CC(=C(C=C1)N2N=C3C=CC=CC3=N2)O
InChI
InChI=1S/C13H11N3O/c1-9-6-7-12(13(17)8-9)16-14-10-4-2-3-5-11(10)15-16/h2-8,17H,1H3
InChIKey
RTFZCRWZPPIBGX-UHFFFAOYSA-N
Compound name
2-(benzotriazol-2-yl)-5-methylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

351
Patents

225.09021 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.097486 148.7
[M+Na]+ 248.079428 160.6
[M-H]- 224.082934 152.4
[M+NH4]+ 243.124033 165.4
[M+K]+ 264.053368 155.1
[M+H-H2O]+ 208.087470 140.1
[M+HCOO]- 270.088411 170.2
[M+CH3COO]- 284.104061 161.8
[M+Na-2H]- 246.064876 155.9
[M]+ 225.08966142 150.8
[M]- 225.09075858 150.8
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