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]+ 244.013166 142.7
[M+Na]+ 265.995108 155.3
[M-H]- 241.998614 151.2
[M+NH4]+ 261.039713 159.0
[M+K]+ 281.969048 142.9
[M+H-H2O]+ 226.003150 141.0
[M+HCOO]- 288.004091 163.5
[M+CH3COO]- 302.019741 195.4
[M+Na-2H]- 263.980556 148.1
[M]+ 243.00534142 159.3
[M]- 243.00643858 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.