CID 91663064

3,3-difluoro-1-phenylcyclobutan-1-amine hydrochloride

Structural Information

Molecular Formula
C10H11F2N
SMILES
C1C(CC1(F)F)(C2=CC=CC=C2)N
InChI
InChI=1S/C10H11F2N/c11-10(12)6-9(13,7-10)8-4-2-1-3-5-8/h1-5H,6-7,13H2
InChIKey
OOEXLKOSNFZYTC-UHFFFAOYSA-N
Compound name
3,3-difluoro-1-phenylcyclobutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

183.08595 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.093226 138.4
[M+Na]+ 206.075168 146.1
[M-H]- 182.078674 142.8
[M+NH4]+ 201.119773 155.3
[M+K]+ 222.049108 145.8
[M+H-H2O]+ 166.083210 127.3
[M+HCOO]- 228.084151 159.2
[M+CH3COO]- 242.099801 185.8
[M+Na-2H]- 204.060616 144.9
[M]+ 183.08540142 141.7
[M]- 183.08649858 141.7
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