CID 65814911

2792201-77-3

Structural Information

Molecular Formula
C10H11BrFN
SMILES
C1CC1C(C2=CC(=CC(=C2)Br)F)N
InChI
InChI=1S/C10H11BrFN/c11-8-3-7(4-9(12)5-8)10(13)6-1-2-6/h3-6,10H,1-2,13H2
InChIKey
BTUPEBRIODBODG-UHFFFAOYSA-N
Compound name
(3-bromo-5-fluorophenyl)-cyclopropylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.00589 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.01317 142.7
[M+Na]+ 265.99511 155.3
[M-H]- 241.99861 151.2
[M+NH4]+ 261.03971 159.0
[M+K]+ 281.96905 142.9
[M+H-H2O]+ 226.00315 141.0
[M+HCOO]- 288.00409 163.5
[M+CH3COO]- 302.01974 195.4
[M+Na-2H]- 263.98056 148.1
[M]+ 243.00534 159.3
[M]- 243.00644 159.3
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.