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]+ 184.09323 138.4
[M+Na]+ 206.07517 146.1
[M-H]- 182.07867 142.8
[M+NH4]+ 201.11977 155.3
[M+K]+ 222.04911 145.8
[M+H-H2O]+ 166.08321 127.3
[M+HCOO]- 228.08415 159.2
[M+CH3COO]- 242.09980 185.8
[M+Na-2H]- 204.06062 144.9
[M]+ 183.08540 141.7
[M]- 183.08650 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