CID 83720853

[1-(3-bromo-5-fluorophenyl)cyclopropyl]methanamine

Structural Information

Molecular Formula
C10H11BrFN
SMILES
C1CC1(CN)C2=CC(=CC(=C2)Br)F
InChI
InChI=1S/C10H11BrFN/c11-8-3-7(4-9(12)5-8)10(6-13)1-2-10/h3-5H,1-2,6,13H2
InChIKey
XATXGRVNPKGPNY-UHFFFAOYSA-N
Compound name
[1-(3-bromo-5-fluorophenyl)cyclopropyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

243.00589 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.01317 142.0
[M+Na]+ 265.99511 155.6
[M-H]- 241.99861 150.8
[M+NH4]+ 261.03971 160.2
[M+K]+ 281.96905 143.7
[M+H-H2O]+ 226.00315 141.4
[M+HCOO]- 288.00409 163.4
[M+CH3COO]- 302.01974 194.2
[M+Na-2H]- 263.98056 149.5
[M]+ 243.00534 159.8
[M]- 243.00644 159.8
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

patents stripe