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]+ 267.994336 151.3
[M+Na]+ 289.976278 163.3
[M-H]- 265.979784 154.1
[M+NH4]+ 285.020883 171.5
[M+K]+ 305.950218 151.0
[M+H-H2O]+ 249.984320 148.8
[M+HCOO]- 311.985261 169.5
[M+CH3COO]- 326.000911 196.0
[M+Na-2H]- 287.961726 157.5
[M]+ 266.98651142 165.5
[M]- 266.98760858 165.5
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.