CID 135981331

1378976-02-3

Structural Information

Molecular Formula
C8H6ClN3O
SMILES
C1=CC(=C(C=C1Cl)C2=NNN=C2)O
InChI
InChI=1S/C8H6ClN3O/c9-5-1-2-8(13)6(3-5)7-4-10-12-11-7/h1-4,13H,(H,10,11,12)
InChIKey
NBDFMTBYKCBTSW-UHFFFAOYSA-N
Compound name
4-chloro-2-(2H-triazol-4-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

195.01994 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.02722 137.4
[M+Na]+ 218.00916 148.2
[M-H]- 194.01266 138.0
[M+NH4]+ 213.05376 154.1
[M+K]+ 233.98310 142.5
[M+H-H2O]+ 178.01720 129.8
[M+HCOO]- 240.01814 153.0
[M+CH3COO]- 254.03379 149.9
[M+Na-2H]- 215.99461 143.0
[M]+ 195.01939 136.9
[M]- 195.02049 136.9
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

No patent data available for this compound.