CID 123045

1h-naphtho(2,3-d)triazole

Structural Information

Molecular Formula
C10H7N3
SMILES
C1=CC2=CC3=NNN=C3C=C2C=C1
InChI
InChI=1S/C10H7N3/c1-2-4-8-6-10-9(11-13-12-10)5-7(8)3-1/h1-6H,(H,11,12,13)
InChIKey
NSFXVRRBGNORBD-UHFFFAOYSA-N
Compound name
2H-benzo[f]benzotriazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

248
Patents

169.064 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.07128 132.0
[M+Na]+ 192.05322 143.6
[M-H]- 168.05672 132.9
[M+NH4]+ 187.09782 151.8
[M+K]+ 208.02716 138.3
[M+H-H2O]+ 152.06126 124.3
[M+HCOO]- 214.06220 152.8
[M+CH3COO]- 228.07785 145.6
[M+Na-2H]- 190.03867 143.0
[M]+ 169.06345 132.3
[M]- 169.06455 132.3
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