CID 586225

5-fluoro-1h-1,2,3-benzotriazole

Structural Information

Molecular Formula
C6H4FN3
SMILES
C1=CC2=NNN=C2C=C1F
InChI
InChI=1S/C6H4FN3/c7-4-1-2-5-6(3-4)9-10-8-5/h1-3H,(H,8,9,10)
InChIKey
SYGGDXKMRDPIKQ-UHFFFAOYSA-N
Compound name
5-fluoro-2H-benzotriazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

617
Patents

137.03893 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.04621 121.1
[M+Na]+ 160.02815 133.0
[M-H]- 136.03165 119.9
[M+NH4]+ 155.07275 141.3
[M+K]+ 176.00209 129.2
[M+H-H2O]+ 120.03619 113.2
[M+HCOO]- 182.03713 142.3
[M+CH3COO]- 196.05278 135.2
[M+Na-2H]- 158.01360 130.7
[M]+ 137.03838 120.0
[M]- 137.03948 120.0
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