CID 11382978

169198-72-5

Structural Information

Molecular Formula
C19H12ClN3O3
SMILES
C1=CC=C(C=C1)C(=O)OC2=CC(=C(C=C2)N3N=C4C=CC(=CC4=N3)Cl)O
InChI
InChI=1S/C19H12ClN3O3/c20-13-6-8-15-16(10-13)22-23(21-15)17-9-7-14(11-18(17)24)26-19(25)12-4-2-1-3-5-12/h1-11,24H
InChIKey
HWSDZRBDEVTBSM-UHFFFAOYSA-N
Compound name
[4-(5-chlorobenzotriazol-2-yl)-3-hydroxyphenyl] benzoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

114
Patents

365.05673 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.06401 181.9
[M+Na]+ 388.04595 193.2
[M-H]- 364.04945 188.4
[M+NH4]+ 383.09055 192.8
[M+K]+ 404.01989 185.9
[M+H-H2O]+ 348.05399 171.5
[M+HCOO]- 410.05493 197.1
[M+CH3COO]- 424.07058 192.6
[M+Na-2H]- 386.03140 185.8
[M]+ 365.05618 187.1
[M]- 365.05728 187.1
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

patents stripe