CID 11116743

3-trifluoromethyl-3-phenyldiazirine

Structural Information

Molecular Formula
C8H5F3N2
SMILES
C1=CC=C(C=C1)C2(N=N2)C(F)(F)F
InChI
InChI=1S/C8H5F3N2/c9-8(10,11)7(12-13-7)6-4-2-1-3-5-6/h1-5H
InChIKey
IXEVBKYJNFWMPR-UHFFFAOYSA-N
Compound name
3-phenyl-3-(trifluoromethyl)diazirine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

19
References

769
Patents

186.04048 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.04776 136.2
[M+Na]+ 209.02970 148.1
[M-H]- 185.03320 137.9
[M+NH4]+ 204.07430 150.3
[M+K]+ 225.00364 144.9
[M+H-H2O]+ 169.03774 126.6
[M+HCOO]- 231.03868 155.6
[M+CH3COO]- 245.05433 182.8
[M+Na-2H]- 207.01515 145.8
[M]+ 186.03993 135.5
[M]- 186.04103 135.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe