CID 28419754

[(5-bromo-2-fluorophenyl)methyl](prop-2-en-1-yl)amine

Structural Information

Molecular Formula
C10H11BrFN
SMILES
C=CCNCC1=C(C=CC(=C1)Br)F
InChI
InChI=1S/C10H11BrFN/c1-2-5-13-7-8-6-9(11)3-4-10(8)12/h2-4,6,13H,1,5,7H2
InChIKey
GVJOQRHTQSFLBX-UHFFFAOYSA-N
Compound name
N-[(5-bromo-2-fluorophenyl)methyl]prop-2-en-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.00589 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.013166 145.1
[M+Na]+ 265.995108 156.4
[M-H]- 241.998614 150.1
[M+NH4]+ 261.039713 166.2
[M+K]+ 281.969048 143.8
[M+H-H2O]+ 226.003150 143.8
[M+HCOO]- 288.004091 166.7
[M+CH3COO]- 302.019741 193.1
[M+Na-2H]- 263.980556 151.8
[M]+ 243.00534142 162.0
[M]- 243.00643858 162.0
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.