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

672
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

literature stripe

Patent stripe

patents stripe