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]+ 244.01317 145.1
[M+Na]+ 265.99511 156.4
[M-H]- 241.99861 150.1
[M+NH4]+ 261.03971 166.2
[M+K]+ 281.96905 143.8
[M+H-H2O]+ 226.00315 143.8
[M+HCOO]- 288.00409 166.7
[M+CH3COO]- 302.01974 193.1
[M+Na-2H]- 263.98056 151.8
[M]+ 243.00534 162.0
[M]- 243.00644 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.