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

305
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 154.2
[M+Na]+ 305.02325 165.6
[M-H]- 281.02675 147.8
[M+NH4]+ 300.06785 165.8
[M+K]+ 320.99719 159.6
[M+H-H2O]+ 265.03129 140.9
[M+HCOO]- 327.03223 164.4
[M+CH3COO]- 341.04788 194.1
[M+Na-2H]- 303.00870 158.2
[M]+ 282.03348 145.1
[M]- 282.03458 145.1
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