CID 15165444

133302-62-2

Structural Information

Molecular Formula
C7H6BrFN2
SMILES
C1=CC(=C(C=C1C(=N)N)F)Br
InChI
InChI=1S/C7H6BrFN2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,(H3,10,11)
InChIKey
UIRFKNNTWPOYEZ-UHFFFAOYSA-N
Compound name
4-bromo-3-fluorobenzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

215.96983 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.97711 136.8
[M+Na]+ 238.95905 148.0
[M-H]- 214.96255 141.7
[M+NH4]+ 234.00365 158.0
[M+K]+ 254.93299 135.9
[M+H-H2O]+ 198.96709 135.1
[M+HCOO]- 260.96803 158.6
[M+CH3COO]- 274.98368 189.4
[M+Na-2H]- 236.94450 142.9
[M]+ 215.96928 150.2
[M]- 215.97038 150.2
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.