CID 165985478

1-(bromomethyl)-3,3-difluorocyclobutan-1-amine hydrochloride

Structural Information

Molecular Formula
C5H8BrF2N
SMILES
C1C(CC1(F)F)(CBr)N
InChI
InChI=1S/C5H8BrF2N/c6-3-4(9)1-5(7,8)2-4/h1-3,9H2
InChIKey
UFNTVMJGWUPLHY-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-3,3-difluorocyclobutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.98082 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.98810 127.9
[M+Na]+ 221.97004 138.9
[M-H]- 197.97354 131.9
[M+NH4]+ 217.01464 147.8
[M+K]+ 237.94398 131.0
[M+H-H2O]+ 181.97808 124.6
[M+HCOO]- 243.97902 146.4
[M+CH3COO]- 257.99467 185.9
[M+Na-2H]- 219.95549 135.9
[M]+ 198.98027 149.3
[M]- 198.98137 149.3
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.