CID 129011215

6-bromo-1-(difluoromethyl)isoquinoline

Structural Information

Molecular Formula
C10H6BrF2N
SMILES
C1=CC2=C(C=CN=C2C(F)F)C=C1Br
InChI
InChI=1S/C10H6BrF2N/c11-7-1-2-8-6(5-7)3-4-14-9(8)10(12)13/h1-5,10H
InChIKey
PHOMVFRCNKOODI-UHFFFAOYSA-N
Compound name
6-bromo-1-(difluoromethyl)isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.96518 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.972456 146.4
[M+Na]+ 279.954398 159.3
[M-H]- 255.957904 150.1
[M+NH4]+ 274.999003 166.9
[M+K]+ 295.928338 147.4
[M+H-H2O]+ 239.962440 144.6
[M+HCOO]- 301.963381 163.8
[M+CH3COO]- 315.979031 160.7
[M+Na-2H]- 277.939846 154.1
[M]+ 256.96463142 162.6
[M]- 256.96572858 162.6
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.