CID 53906961

1-azido-2,3-difluorobenzene

Structural Information

Molecular Formula
C6H3F2N3
SMILES
C1=CC(=C(C(=C1)F)F)N=[N+]=[N-]
InChI
InChI=1S/C6H3F2N3/c7-4-2-1-3-5(6(4)8)10-11-9/h1-3H
InChIKey
OPNOUJKOFZTVOM-UHFFFAOYSA-N
Compound name
1-azido-2,3-difluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

155.02951 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.03679 122.2
[M+Na]+ 178.01873 131.5
[M-H]- 154.02223 126.6
[M+NH4]+ 173.06333 143.6
[M+K]+ 193.99267 125.4
[M+H-H2O]+ 138.02677 119.0
[M+HCOO]- 200.02771 152.4
[M+CH3COO]- 214.04336 180.1
[M+Na-2H]- 176.00418 132.8
[M]+ 155.02896 117.7
[M]- 155.03006 117.7
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