CID 620220

175205-09-1

Structural Information

Molecular Formula
C9H4F6N4
SMILES
C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)C2=NNN=N2
InChI
InChI=1S/C9H4F6N4/c10-8(11,12)5-1-4(7-16-18-19-17-7)2-6(3-5)9(13,14)15/h1-3H,(H,16,17,18,19)
InChIKey
KKJFZIQEWZVVIV-UHFFFAOYSA-N
Compound name
5-[3,5-bis(trifluoromethyl)phenyl]-2H-tetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

300
Patents

282.03403 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.04131 163.0
[M+Na]+ 305.02325 168.0
[M+NH4]+ 300.06785 164.0
[M+K]+ 320.99719 166.4
[M-H]- 281.02675 155.6
[M+Na-2H]- 303.00870 164.6
[M]+ 282.03348 161.1
[M]- 282.03458 161.1
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