CID 202904

13481-63-5

Structural Information

Molecular Formula
C14H10F3N5
SMILES
C1=CC=C(C(=C1)C2=NNN=N2)NC3=CC=CC(=C3)C(F)(F)F
InChI
InChI=1S/C14H10F3N5/c15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13-19-21-22-20-13/h1-8,18H,(H,19,20,21,22)
InChIKey
JPEXITLSZOMSFC-UHFFFAOYSA-N
Compound name
2-(2H-tetrazol-5-yl)-N-[3-(trifluoromethyl)phenyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

6
Patents

305.08884 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.09612 164.9
[M+Na]+ 328.07806 174.0
[M-H]- 304.08156 164.9
[M+NH4]+ 323.12266 174.7
[M+K]+ 344.05200 166.5
[M+H-H2O]+ 288.08610 151.8
[M+HCOO]- 350.08704 180.6
[M+CH3COO]- 364.10269 174.2
[M+Na-2H]- 326.06351 170.4
[M]+ 305.08829 158.8
[M]- 305.08939 158.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe