CID 688251

96549-95-0

Structural Information

Molecular Formula
C14H13N3O2
SMILES
C1=CC2=NN(N=C2C=C1)C3=C(C=CC(=C3)CCO)O
InChI
InChI=1S/C14H13N3O2/c18-8-7-10-5-6-14(19)13(9-10)17-15-11-3-1-2-4-12(11)16-17/h1-6,9,18-19H,7-8H2
InChIKey
CHKKZILXOJVMAD-UHFFFAOYSA-N
Compound name
2-(benzotriazol-2-yl)-4-(2-hydroxyethyl)phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

656
Patents

255.10077 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.10805 156.5
[M+Na]+ 278.08999 167.2
[M-H]- 254.09349 158.6
[M+NH4]+ 273.13459 171.1
[M+K]+ 294.06393 161.3
[M+H-H2O]+ 238.09803 147.8
[M+HCOO]- 300.09897 176.2
[M+CH3COO]- 314.11462 168.3
[M+Na-2H]- 276.07544 162.7
[M]+ 255.10022 158.4
[M]- 255.10132 158.4
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.