CID 146219926

2380323-07-7

Structural Information

Molecular Formula
C13H16BrFN2O
SMILES
CC(C)N1C2=C(C(=CC(=C2)Br)F)N=C1C(C)(C)O
InChI
InChI=1S/C13H16BrFN2O/c1-7(2)17-10-6-8(14)5-9(15)11(10)16-12(17)13(3,4)18/h5-7,18H,1-4H3
InChIKey
RCUBUWYQWIBMHW-UHFFFAOYSA-N
Compound name
2-(6-bromo-4-fluoro-1-propan-2-ylbenzimidazol-2-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

314.043 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.05028 166.6
[M+Na]+ 337.03222 180.7
[M-H]- 313.03572 170.0
[M+NH4]+ 332.07682 185.6
[M+K]+ 353.00616 168.5
[M+H-H2O]+ 297.04026 165.8
[M+HCOO]- 359.04120 182.1
[M+CH3COO]- 373.05685 202.9
[M+Na-2H]- 335.01767 170.6
[M]+ 314.04245 187.1
[M]- 314.04355 187.1
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

patents stripe