CID 46311532

5-bromo-2-(difluoromethoxy)-3-methylpyridine

Structural Information

Molecular Formula
C7H6BrF2NO
SMILES
CC1=CC(=CN=C1OC(F)F)Br
InChI
InChI=1S/C7H6BrF2NO/c1-4-2-5(8)3-11-6(4)12-7(9)10/h2-3,7H,1H3
InChIKey
QVWWMFKIRMUSMD-UHFFFAOYSA-N
Compound name
5-bromo-2-(difluoromethoxy)-3-methylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

236.96008 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.96736 138.9
[M+Na]+ 259.94930 151.8
[M-H]- 235.95280 141.9
[M+NH4]+ 254.99390 159.3
[M+K]+ 275.92324 141.2
[M+H-H2O]+ 219.95734 137.1
[M+HCOO]- 281.95828 157.6
[M+CH3COO]- 295.97393 188.7
[M+Na-2H]- 257.93475 145.3
[M]+ 236.95953 156.4
[M]- 236.96063 156.4
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