CID 166000540

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

Structural Information

Molecular Formula
C8H3BrF4N2
SMILES
C1=CC(=C(C=C1C2(N=N2)C(F)(F)F)F)Br
InChI
InChI=1S/C8H3BrF4N2/c9-5-2-1-4(3-6(5)10)7(14-15-7)8(11,12)13/h1-3H
InChIKey
NNFGYBCIQKBGOE-UHFFFAOYSA-N
Compound name
3-(4-bromo-3-fluorophenyl)-3-(trifluoromethyl)diazirine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.94156 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.94884 149.8
[M+Na]+ 304.93078 166.2
[M-H]- 280.93428 153.5
[M+NH4]+ 299.97538 164.6
[M+K]+ 320.90472 153.8
[M+H-H2O]+ 264.93882 146.3
[M+HCOO]- 326.93976 166.2
[M+CH3COO]- 340.95541 196.9
[M+Na-2H]- 302.91623 158.2
[M]+ 281.94101 166.7
[M]- 281.94211 166.7
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.