CID 84044137

[(2-bromo-3,5-difluorophenyl)methyl](methyl)amine hydrochloride

Structural Information

Molecular Formula
C8H8BrF2N
SMILES
CNCC1=C(C(=CC(=C1)F)F)Br
InChI
InChI=1S/C8H8BrF2N/c1-12-4-5-2-6(10)3-7(11)8(5)9/h2-3,12H,4H2,1H3
InChIKey
MXTSGWZVTPAJTO-UHFFFAOYSA-N
Compound name
1-(2-bromo-3,5-difluorophenyl)-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.98082 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.98810 140.9
[M+Na]+ 257.97004 153.6
[M-H]- 233.97354 145.2
[M+NH4]+ 253.01464 162.5
[M+K]+ 273.94398 141.6
[M+H-H2O]+ 217.97808 139.1
[M+HCOO]- 279.97902 161.9
[M+CH3COO]- 293.99467 191.9
[M+Na-2H]- 255.95549 147.2
[M]+ 234.98027 156.9
[M]- 234.98137 156.9
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.