CID 32068

Midaflur

Structural Information

Molecular Formula
C7H3F12N3
SMILES
C1(=NC(NC1(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F)N
InChI
InChI=1S/C7H3F12N3/c8-4(9,10)2(5(11,12)13)1(20)21-3(22-2,6(14,15)16)7(17,18)19/h22H,(H2,20,21)
InChIKey
KYWMWUUMCDZISK-UHFFFAOYSA-N
Compound name
2,2,5,5-tetrakis(trifluoromethyl)-1H-imidazol-4-amine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

2
References

3214
Patents

357.01355 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.020826 160.8
[M+Na]+ 380.002768 172.4
[M-H]- 356.006274 147.4
[M+NH4]+ 375.047373 175.1
[M+K]+ 395.976708 168.0
[M+H-H2O]+ 340.010810 148.7
[M+HCOO]- 402.011751 162.8
[M+CH3COO]- 416.027401 208.6
[M+Na-2H]- 377.988216 164.2
[M]+ 357.01300142 140.1
[M]- 357.01409858 140.1
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