CID 122123

4-fluoro-7-nitrobenzofurazan

Structural Information

Molecular Formula
C6H2FN3O3
SMILES
C1=C(C2=NON=C2C(=C1)F)[N+](=O)[O-]
InChI
InChI=1S/C6H2FN3O3/c7-3-1-2-4(10(11)12)6-5(3)8-13-9-6/h1-2H
InChIKey
PGZIDERTDJHJFY-UHFFFAOYSA-N
Compound name
4-fluoro-7-nitro-2,1,3-benzoxadiazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

153
References

1017
Patents

183.00803 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.01531 127.4
[M+Na]+ 205.99725 138.8
[M-H]- 182.00075 130.1
[M+NH4]+ 201.04185 145.6
[M+K]+ 221.97119 133.8
[M+H-H2O]+ 166.00529 124.5
[M+HCOO]- 228.00623 151.8
[M+CH3COO]- 242.02188 173.3
[M+Na-2H]- 203.98270 139.3
[M]+ 183.00748 128.6
[M]- 183.00858 128.6
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