CID 72215965

1393543-60-6

Structural Information

Molecular Formula
C7H6BrF3N2
SMILES
C1=C(C=C(N=C1CN)Br)C(F)(F)F
InChI
InChI=1S/C7H6BrF3N2/c8-6-2-4(7(9,10)11)1-5(3-12)13-6/h1-2H,3,12H2
InChIKey
IPOIOSIZTQUNOF-UHFFFAOYSA-N
Compound name
[6-bromo-4-(trifluoromethyl)pyridin-2-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.96664 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.97392 146.0
[M+Na]+ 276.95586 158.8
[M-H]- 252.95936 147.3
[M+NH4]+ 272.00046 165.2
[M+K]+ 292.92980 146.4
[M+H-H2O]+ 236.96390 143.1
[M+HCOO]- 298.96484 163.1
[M+CH3COO]- 312.98049 192.2
[M+Na-2H]- 274.94131 152.4
[M]+ 253.96609 159.2
[M]- 253.96719 159.2
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.