CID 61368751

874815-04-0

Structural Information

Molecular Formula
C8H6F3N5
SMILES
C1=CC(=C(C=C1C2=NNN=N2)C(F)(F)F)N
InChI
InChI=1S/C8H6F3N5/c9-8(10,11)5-3-4(1-2-6(5)12)7-13-15-16-14-7/h1-3H,12H2,(H,13,14,15,16)
InChIKey
XYWIXJDEXUZJFG-UHFFFAOYSA-N
Compound name
4-(2H-tetrazol-5-yl)-2-(trifluoromethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.05753 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.06481 144.9
[M+Na]+ 252.04675 155.3
[M-H]- 228.05025 141.8
[M+NH4]+ 247.09135 158.2
[M+K]+ 268.02069 150.0
[M+H-H2O]+ 212.05479 133.7
[M+HCOO]- 274.05573 160.8
[M+CH3COO]- 288.07138 187.0
[M+Na-2H]- 250.03220 150.1
[M]+ 229.05698 138.1
[M]- 229.05808 138.1
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.