CID 51060059

2-(1h-1,2,3-benzotriazol-1-ylmethoxy)benzonitrile

Structural Information

Molecular Formula
C14H10N4O
SMILES
C1=CC=C(C(=C1)C#N)OCN2C3=CC=CC=C3N=N2
InChI
InChI=1S/C14H10N4O/c15-9-11-5-1-4-8-14(11)19-10-18-13-7-3-2-6-12(13)16-17-18/h1-8H,10H2
InChIKey
STWSPKZWVWWMHO-UHFFFAOYSA-N
Compound name
2-(benzotriazol-1-ylmethoxy)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.08546 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.09274 155.0
[M+Na]+ 273.07468 167.1
[M-H]- 249.07818 156.8
[M+NH4]+ 268.11928 168.5
[M+K]+ 289.04862 160.1
[M+H-H2O]+ 233.08272 138.2
[M+HCOO]- 295.08366 173.2
[M+CH3COO]- 309.09931 165.5
[M+Na-2H]- 271.06013 161.5
[M]+ 250.08491 152.4
[M]- 250.08601 152.4
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.