CID 132284923

2199182-59-5

Structural Information

Molecular Formula
C6H4F5N3S
SMILES
C1=CC(=CC(=C1)S(F)(F)(F)(F)F)N=[N+]=[N-]
InChI
InChI=1S/C6H4F5N3S/c7-15(8,9,10,11)6-3-1-2-5(4-6)13-14-12/h1-4H
InChIKey
FQSDUEJCGTZZQT-UHFFFAOYSA-N
Compound name
(3-azidophenyl)-pentafluoro-lambda6-sulfane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.00461 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.01189 130.0
[M+Na]+ 267.99383 139.7
[M-H]- 243.99733 130.6
[M+NH4]+ 263.03843 148.1
[M+K]+ 283.96777 131.4
[M+H-H2O]+ 228.00187 124.4
[M+HCOO]- 290.00281 150.5
[M+CH3COO]- 304.01846 192.2
[M+Na-2H]- 265.97928 135.7
[M]+ 245.00406 122.6
[M]- 245.00516 122.6
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

No patent data available for this compound.