CID 68075390

1-(4-bromophenyl)-3,3-difluorocyclobutan-1-amine hydrochloride

Structural Information

Molecular Formula
C10H10BrF2N
SMILES
C1C(CC1(F)F)(C2=CC=C(C=C2)Br)N
InChI
InChI=1S/C10H10BrF2N/c11-8-3-1-7(2-4-8)9(14)5-10(12,13)6-9/h1-4H,5-6,14H2
InChIKey
LUABIUALKGUCFG-UHFFFAOYSA-N
Compound name
1-(4-bromophenyl)-3,3-difluorocyclobutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

260.99646 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.00374 143.4
[M+Na]+ 283.98568 154.7
[M-H]- 259.98918 150.3
[M+NH4]+ 279.03028 161.1
[M+K]+ 299.95962 145.6
[M+H-H2O]+ 243.99372 138.7
[M+HCOO]- 305.99466 162.0
[M+CH3COO]- 320.01031 196.3
[M+Na-2H]- 281.97113 150.5
[M]+ 260.99591 165.0
[M]- 260.99701 165.0
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