CID 139022647

2344679-84-9

Structural Information

Molecular Formula
C9H8BrF2N
SMILES
C1C2=C(C=CC=C2Br)C(C1(F)F)N
InChI
InChI=1S/C9H8BrF2N/c10-7-3-1-2-5-6(7)4-9(11,12)8(5)13/h1-3,8H,4,13H2
InChIKey
LALLDCNBFLFZEB-UHFFFAOYSA-N
Compound name
4-bromo-2,2-difluoro-1,3-dihydroinden-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.98082 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.98810 146.3
[M+Na]+ 269.97004 160.0
[M-H]- 245.97354 151.3
[M+NH4]+ 265.01464 171.8
[M+K]+ 285.94398 147.6
[M+H-H2O]+ 229.97808 145.9
[M+HCOO]- 291.97902 165.9
[M+CH3COO]- 305.99467 191.5
[M+Na-2H]- 267.95549 151.9
[M]+ 246.98027 160.6
[M]- 246.98137 160.6
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.