CID 125489589

1608496-47-4

Structural Information

Molecular Formula
C9H5F3N2O
SMILES
C1=CC(=CC(=C1)C2(N=N2)C(F)(F)F)C=O
InChI
InChI=1S/C9H5F3N2O/c10-9(11,12)8(13-14-8)7-3-1-2-6(4-7)5-15/h1-5H
InChIKey
DXMLUGBRSUVWEU-UHFFFAOYSA-N
Compound name
3-[3-(trifluoromethyl)diazirin-3-yl]benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.0354 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.04268 152.4
[M+Na]+ 237.02462 163.1
[M+NH4]+ 232.06922 158.9
[M+K]+ 252.99856 158.0
[M-H]- 213.02812 155.7
[M+Na-2H]- 235.01007 161.1
[M]+ 214.03485 155.7
[M]- 214.03595 155.7
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.