CID 133062094

3-(4-fluorophenyl)-3-(trifluoromethyl)-3h-diazirine

Structural Information

Molecular Formula
C8H4F4N2
SMILES
C1=CC(=CC=C1C2(N=N2)C(F)(F)F)F
InChI
InChI=1S/C8H4F4N2/c9-6-3-1-5(2-4-6)7(13-14-7)8(10,11)12/h1-4H
InChIKey
JBGSXGHXLAFPMG-UHFFFAOYSA-N
Compound name
3-(4-fluorophenyl)-3-(trifluoromethyl)diazirine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.03107 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.03835 137.2
[M+Na]+ 227.02029 149.9
[M-H]- 203.02379 137.8
[M+NH4]+ 222.06489 150.8
[M+K]+ 242.99423 146.1
[M+H-H2O]+ 187.02833 126.8
[M+HCOO]- 249.02927 155.5
[M+CH3COO]- 263.04492 186.6
[M+Na-2H]- 225.00574 145.6
[M]+ 204.03052 135.6
[M]- 204.03162 135.6
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.