CID 122454

Benzenediazonium, 3,5-bis(trifluoromethyl)-

Structural Information

Molecular Formula
C8H3F6N2
SMILES
C1=C(C=C(C=C1C(F)(F)F)[N+]#N)C(F)(F)F
InChI
InChI=1S/C8H3F6N2/c9-7(10,11)4-1-5(8(12,13)14)3-6(2-4)16-15/h1-3H/q+1
InChIKey
OBUHATYQFHFCRT-UHFFFAOYSA-N
Compound name
3,5-bis(trifluoromethyl)benzenediazonium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

241.02003 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.02731 139.7
[M+Na]+ 264.00925 150.8
[M-H]- 240.01275 137.7
[M+NH4]+ 259.05385 155.4
[M+K]+ 279.98319 143.6
[M+H-H2O]+ 224.01729 125.8
[M+HCOO]- 286.01823 154.2
[M+CH3COO]- 300.03388 200.5
[M+Na-2H]- 261.99470 147.1
[M]+ 241.01948 126.6
[M]- 241.02058 126.6
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

patents stripe