CID 16227113

878259-07-5

Structural Information

Molecular Formula
C13H10F3N3O
SMILES
C1=COC(=C1)CN2C3=C(C=C(C=C3)C(F)(F)F)N=C2N
InChI
InChI=1S/C13H10F3N3O/c14-13(15,16)8-3-4-11-10(6-8)18-12(17)19(11)7-9-2-1-5-20-9/h1-6H,7H2,(H2,17,18)
InChIKey
QYVPLFHAOLRMBY-UHFFFAOYSA-N
Compound name
1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.0776 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.08488 157.2
[M+Na]+ 304.06682 169.1
[M-H]- 280.07032 160.3
[M+NH4]+ 299.11142 173.8
[M+K]+ 320.04076 165.0
[M+H-H2O]+ 264.07486 147.8
[M+HCOO]- 326.07580 177.1
[M+CH3COO]- 340.09145 169.7
[M+Na-2H]- 302.05227 161.4
[M]+ 281.07705 156.8
[M]- 281.07815 156.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.