CID 213945

Sc 1350

Structural Information

Molecular Formula
C13H9F3N6
SMILES
C1=CC(=CC(=C1)NC2=C(C=CC=N2)C3=NNN=N3)C(F)(F)F
InChI
InChI=1S/C13H9F3N6/c14-13(15,16)8-3-1-4-9(7-8)18-11-10(5-2-6-17-11)12-19-21-22-20-12/h1-7H,(H,17,18)(H,19,20,21,22)
InChIKey
MQEQIOZHIODSAC-UHFFFAOYSA-N
Compound name
3-(2H-tetrazol-5-yl)-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.08408 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.09136 165.1
[M+Na]+ 329.07330 174.6
[M-H]- 305.07680 164.0
[M+NH4]+ 324.11790 173.5
[M+K]+ 345.04724 167.0
[M+H-H2O]+ 289.08134 151.5
[M+HCOO]- 351.08228 179.7
[M+CH3COO]- 365.09793 174.0
[M+Na-2H]- 327.05875 171.1
[M]+ 306.08353 159.2
[M]- 306.08463 159.2
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.