CID 83337273

2694734-24-0

Structural Information

Molecular Formula
C9H9BrF3N
SMILES
CNCC1=CC(=CC(=C1)Br)C(F)(F)F
InChI
InChI=1S/C9H9BrF3N/c1-14-5-6-2-7(9(11,12)13)4-8(10)3-6/h2-4,14H,5H2,1H3
InChIKey
ACIMADZNFGSWCT-UHFFFAOYSA-N
Compound name
1-[3-bromo-5-(trifluoromethyl)phenyl]-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.98706 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.99434 158.4
[M+Na]+ 289.97628 159.5
[M+NH4]+ 285.02088 161.4
[M+K]+ 305.95022 158.7
[M-H]- 265.97978 155.6
[M+Na-2H]- 287.96173 159.8
[M]+ 266.98651 156.5
[M]- 266.98761 156.5
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.