CID 20116629

[(5-bromo-2-fluorophenyl)methyl](propan-2-yl)amine

Structural Information

Molecular Formula
C10H13BrFN
SMILES
CC(C)NCC1=C(C=CC(=C1)Br)F
InChI
InChI=1S/C10H13BrFN/c1-7(2)13-6-8-5-9(11)3-4-10(8)12/h3-5,7,13H,6H2,1-2H3
InChIKey
IXXUYKRGUZVACR-UHFFFAOYSA-N
Compound name
N-[(5-bromo-2-fluorophenyl)methyl]propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.02155 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.02883 147.5
[M+Na]+ 268.01077 158.3
[M-H]- 244.01427 152.6
[M+NH4]+ 263.05537 168.6
[M+K]+ 283.98471 146.7
[M+H-H2O]+ 228.01881 146.2
[M+HCOO]- 290.01975 168.0
[M+CH3COO]- 304.03540 194.7
[M+Na-2H]- 265.99622 152.9
[M]+ 245.02100 164.5
[M]- 245.02210 164.5
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.