CID 785793

203070-37-5

Structural Information

Molecular Formula
C13H8FN3O
SMILES
C1=CC=C2C(=C1)N=NN2C(=O)C3=CC=C(C=C3)F
InChI
InChI=1S/C13H8FN3O/c14-10-7-5-9(6-8-10)13(18)17-12-4-2-1-3-11(12)15-16-17/h1-8H
InChIKey
HQQCCQFFYVPHGB-UHFFFAOYSA-N
Compound name
benzotriazol-1-yl-(4-fluorophenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

13
Patents

241.06514 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.07242 150.1
[M+Na]+ 264.05436 161.5
[M-H]- 240.05786 153.5
[M+NH4]+ 259.09896 166.3
[M+K]+ 280.02830 156.3
[M+H-H2O]+ 224.06240 140.1
[M+HCOO]- 286.06334 171.2
[M+CH3COO]- 300.07899 162.9
[M+Na-2H]- 262.03981 156.7
[M]+ 241.06459 151.1
[M]- 241.06569 151.1
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