CID 62813745

5-azido-1,2,3-trifluorobenzene

Structural Information

Molecular Formula
C6H2F3N3
SMILES
C1=C(C=C(C(=C1F)F)F)N=[N+]=[N-]
InChI
InChI=1S/C6H2F3N3/c7-4-1-3(11-12-10)2-5(8)6(4)9/h1-2H
InChIKey
XKLCBNYUWMFGLU-UHFFFAOYSA-N
Compound name
5-azido-1,2,3-trifluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

173.02008 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.02736 124.5
[M+Na]+ 196.00930 134.7
[M-H]- 172.01280 127.9
[M+NH4]+ 191.05390 145.3
[M+K]+ 211.98324 128.2
[M+H-H2O]+ 156.01734 120.5
[M+HCOO]- 218.01828 153.6
[M+CH3COO]- 232.03393 184.0
[M+Na-2H]- 193.99475 133.8
[M]+ 173.01953 119.1
[M]- 173.02063 119.1
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