CID 165945519

2703778-73-6

Structural Information

Molecular Formula
C7H11F2N3
SMILES
C1CNCCC1C2(N=N2)C(F)F
InChI
InChI=1S/C7H11F2N3/c8-6(9)7(11-12-7)5-1-3-10-4-2-5/h5-6,10H,1-4H2
InChIKey
UNSFCMKKOMOZKX-UHFFFAOYSA-N
Compound name
4-[3-(difluoromethyl)diazirin-3-yl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.0921 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.099376 142.0
[M+Na]+ 198.081318 150.3
[M-H]- 174.084824 141.1
[M+NH4]+ 193.125923 154.1
[M+K]+ 214.055258 147.2
[M+H-H2O]+ 158.089360 132.2
[M+HCOO]- 220.090301 156.3
[M+CH3COO]- 234.105951 179.6
[M+Na-2H]- 196.066766 147.2
[M]+ 175.09155142 136.6
[M]- 175.09264858 136.6
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.