CID 146275174

4-bromo-n-cyclopropyl-2-(difluoromethoxy)-6-methoxybenzamide

Structural Information

Molecular Formula
C12H12BrF2NO3
SMILES
COC1=C(C(=CC(=C1)Br)OC(F)F)C(=O)NC2CC2
InChI
InChI=1S/C12H12BrF2NO3/c1-18-8-4-6(13)5-9(19-12(14)15)10(8)11(17)16-7-2-3-7/h4-5,7,12H,2-3H2,1H3,(H,16,17)
InChIKey
BENAXIQRUYKVHZ-UHFFFAOYSA-N
Compound name
4-bromo-N-cyclopropyl-2-(difluoromethoxy)-6-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

334.99686 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.00414 161.8
[M+Na]+ 357.98608 173.9
[M-H]- 333.98958 169.2
[M+NH4]+ 353.03068 174.7
[M+K]+ 373.96002 161.7
[M+H-H2O]+ 317.99412 158.4
[M+HCOO]- 379.99506 181.0
[M+CH3COO]- 394.01071 209.8
[M+Na-2H]- 355.97153 164.5
[M]+ 334.99631 181.7
[M]- 334.99741 181.7
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