CID 139015155

2344685-91-0

Structural Information

Molecular Formula
C9H9F2N5
SMILES
C1=CC(=C(C=C1F)F)C(CC2=NNN=N2)N
InChI
InChI=1S/C9H9F2N5/c10-5-1-2-6(7(11)3-5)8(12)4-9-13-15-16-14-9/h1-3,8H,4,12H2,(H,13,14,15,16)
InChIKey
QNOGYABDMKYXMN-UHFFFAOYSA-N
Compound name
1-(2,4-difluorophenyl)-2-(2H-tetrazol-5-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.0826 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.08988 145.4
[M+Na]+ 248.07182 154.7
[M-H]- 224.07532 143.2
[M+NH4]+ 243.11642 158.7
[M+K]+ 264.04576 149.6
[M+H-H2O]+ 208.07986 134.3
[M+HCOO]- 270.08080 162.8
[M+CH3COO]- 284.09645 156.1
[M+Na-2H]- 246.05727 148.9
[M]+ 225.08205 140.2
[M]- 225.08315 140.2
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.