CID 124203185

2043361-32-4

Structural Information

Molecular Formula
C27H36FN2
SMILES
CC(C)C1=C(C(=CC=C1)C(C)C)N2C=C[N+](=C2F)C3=C(C=CC=C3C(C)C)C(C)C
InChI
InChI=1S/C27H36FN2/c1-17(2)21-11-9-12-22(18(3)4)25(21)29-15-16-30(27(29)28)26-23(19(5)6)13-10-14-24(26)20(7)8/h9-20H,1-8H3/q+1
InChIKey
XTOBIWHKPGXSES-UHFFFAOYSA-N
Compound name
1,3-bis[2,6-di(propan-2-yl)phenyl]-2-fluoroimidazol-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

407.28625 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.29353 205.4
[M+Na]+ 430.27547 211.6
[M-H]- 406.27897 211.8
[M+NH4]+ 425.32007 215.5
[M+K]+ 446.24941 200.1
[M+H-H2O]+ 390.28351 197.4
[M+HCOO]- 452.28445 219.4
[M+CH3COO]- 466.30010 227.6
[M+Na-2H]- 428.26092 199.4
[M]+ 407.28570 205.9
[M]- 407.28680 205.9
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