CID 28981756

[5-bromo-2-(difluoromethoxy)phenyl]methanamine hydrochloride

Structural Information

Molecular Formula
C8H8BrF2NO
SMILES
C1=CC(=C(C=C1Br)CN)OC(F)F
InChI
InChI=1S/C8H8BrF2NO/c9-6-1-2-7(13-8(10)11)5(3-6)4-12/h1-3,8H,4,12H2
InChIKey
RYRATUHAXYDQLG-UHFFFAOYSA-N
Compound name
[5-bromo-2-(difluoromethoxy)phenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.97572 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.98300 145.8
[M+Na]+ 273.96494 157.2
[M-H]- 249.96844 149.3
[M+NH4]+ 269.00954 166.1
[M+K]+ 289.93888 145.8
[M+H-H2O]+ 233.97298 143.6
[M+HCOO]- 295.97392 165.5
[M+CH3COO]- 309.98957 192.9
[M+Na-2H]- 271.95039 150.5
[M]+ 250.97517 161.3
[M]- 250.97627 161.3
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

No patent data available for this compound.