CID 137952312

2219407-49-3

Structural Information

Molecular Formula
C7H10F3N3
SMILES
C1CNCCC1C2(N=N2)C(F)(F)F
InChI
InChI=1S/C7H10F3N3/c8-7(9,10)6(12-13-6)5-1-3-11-4-2-5/h5,11H,1-4H2
InChIKey
JRCXKZJQORKWFN-UHFFFAOYSA-N
Compound name
4-[3-(trifluoromethyl)diazirin-3-yl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.08269 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.08997 144.7
[M+Na]+ 216.07191 153.6
[M-H]- 192.07541 142.6
[M+NH4]+ 211.11651 156.2
[M+K]+ 232.04585 150.0
[M+H-H2O]+ 176.07995 134.5
[M+HCOO]- 238.08089 157.4
[M+CH3COO]- 252.09654 181.1
[M+Na-2H]- 214.05736 151.0
[M]+ 193.08214 138.2
[M]- 193.08324 138.2
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.