CID 136993

1-azido-2,3,4,5,6-pentafluorobenzene

Structural Information

Molecular Formula
C6F5N3
SMILES
C1(=C(C(=C(C(=C1F)F)F)F)F)N=[N+]=[N-]
InChI
InChI=1S/C6F5N3/c7-1-2(8)4(10)6(13-14-12)5(11)3(1)9
InChIKey
ZDEIQGWACCNREP-UHFFFAOYSA-N
Compound name
1-azido-2,3,4,5,6-pentafluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

20
References

395
Patents

209.00124 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.00852 129.4
[M+Na]+ 231.99046 141.5
[M-H]- 207.99396 130.7
[M+NH4]+ 227.03506 149.1
[M+K]+ 247.96440 134.0
[M+H-H2O]+ 191.99850 123.8
[M+HCOO]- 253.99944 156.2
[M+CH3COO]- 268.01509 192.1
[M+Na-2H]- 229.97591 136.2
[M]+ 209.00069 122.3
[M]- 209.00179 122.3
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