CID 68283921

1386459-84-2

Structural Information

Molecular Formula
C7H6BrClFN
SMILES
C1=C(C=C(C(=C1CN)F)Cl)Br
InChI
InChI=1S/C7H6BrClFN/c8-5-1-4(3-11)7(10)6(9)2-5/h1-2H,3,11H2
InChIKey
MBPKMIZUQCRGJT-UHFFFAOYSA-N
Compound name
(5-bromo-3-chloro-2-fluorophenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

236.93562 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.94290 138.5
[M+Na]+ 259.92484 152.6
[M-H]- 235.92834 143.7
[M+NH4]+ 254.96944 160.8
[M+K]+ 275.89878 138.9
[M+H-H2O]+ 219.93288 138.7
[M+HCOO]- 281.93382 156.0
[M+CH3COO]- 295.94947 189.5
[M+Na-2H]- 257.91029 144.7
[M]+ 236.93507 156.3
[M]- 236.93617 156.3
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

patents stripe