CID 133055914

3-(2-bromophenyl)-3-(trifluoromethyl)-3h-diazirine

Structural Information

Molecular Formula
C8H4BrF3N2
SMILES
C1=CC=C(C(=C1)C2(N=N2)C(F)(F)F)Br
InChI
InChI=1S/C8H4BrF3N2/c9-6-4-2-1-3-5(6)7(13-14-7)8(10,11)12/h1-4H
InChIKey
XPQMXXPOOSVJEK-UHFFFAOYSA-N
Compound name
3-(2-bromophenyl)-3-(trifluoromethyl)diazirine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.951 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.95828 147.7
[M+Na]+ 286.94022 163.4
[M-H]- 262.94372 152.4
[M+NH4]+ 281.98482 163.1
[M+K]+ 302.91416 151.6
[M+H-H2O]+ 246.94826 145.0
[M+HCOO]- 308.94920 165.2
[M+CH3COO]- 322.96485 193.4
[M+Na-2H]- 284.92567 157.3
[M]+ 263.95045 165.4
[M]- 263.95155 165.4
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.