CID 12138822

Ns00114961

Structural Information

Molecular Formula
C7H8F3N2
SMILES
C1=CC=[N+](N=C1)CCC(F)(F)F
InChI
InChI=1S/C7H8F3N2/c8-7(9,10)3-6-12-5-2-1-4-11-12/h1-2,4-5H,3,6H2/q+1
InChIKey
MUSBCODIBLMUEY-UHFFFAOYSA-N
Compound name
1-(3,3,3-trifluoropropyl)pyridazin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.06396 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.071236 131.9
[M+Na]+ 200.053178 140.9
[M-H]- 176.056684 129.3
[M+NH4]+ 195.097783 149.1
[M+K]+ 216.027118 133.0
[M+H-H2O]+ 160.061220 125.3
[M+HCOO]- 222.062161 149.5
[M+CH3COO]- 236.077811 172.3
[M+Na-2H]- 198.038626 142.6
[M]+ 177.06341142 126.8
[M]- 177.06450858 126.8
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.