CID 3044892

Benzenemethanamine, 2-amino-5-bromo-n-cyclohexyl-n-ethyl-3-fluoro-, monohydrochloride

Structural Information

Molecular Formula
C15H22BrFN2
SMILES
CCN(CC1=C(C(=CC(=C1)Br)F)N)C2CCCCC2
InChI
InChI=1S/C15H22BrFN2/c1-2-19(13-6-4-3-5-7-13)10-11-8-12(16)9-14(17)15(11)18/h8-9,13H,2-7,10,18H2,1H3
InChIKey
VKKBXHJUULMKQC-UHFFFAOYSA-N
Compound name
4-bromo-2-[[cyclohexyl(ethyl)amino]methyl]-6-fluoroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

328.09503 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.10231 173.4
[M+Na]+ 351.08425 180.5
[M-H]- 327.08775 180.8
[M+NH4]+ 346.12885 190.7
[M+K]+ 367.05819 168.4
[M+H-H2O]+ 311.09229 170.0
[M+HCOO]- 373.09323 191.2
[M+CH3COO]- 387.10888 213.1
[M+Na-2H]- 349.06970 174.5
[M]+ 328.09448 186.0
[M]- 328.09558 186.0
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

patents stripe