CID 79709597

2193067-32-0

Structural Information

Molecular Formula
C9H10BrClFN
SMILES
C1=C(C=C(C=C1F)Br)CNCCCl
InChI
InChI=1S/C9H10BrClFN/c10-8-3-7(4-9(12)5-8)6-13-2-1-11/h3-5,13H,1-2,6H2
InChIKey
UQODCURPPZYLBB-UHFFFAOYSA-N
Compound name
N-[(3-bromo-5-fluorophenyl)methyl]-2-chloroethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.96692 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.97420 147.2
[M+Na]+ 287.95614 159.7
[M-H]- 263.95964 152.2
[M+NH4]+ 283.00074 168.5
[M+K]+ 303.93008 145.8
[M+H-H2O]+ 247.96418 146.9
[M+HCOO]- 309.96512 164.7
[M+CH3COO]- 323.98077 194.6
[M+Na-2H]- 285.94159 154.1
[M]+ 264.96637 166.3
[M]- 264.96747 166.3
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.