CID 165670723

2408970-48-7

Structural Information

Molecular Formula
C12H13F2N
SMILES
C1C2(CC1(C2(F)F)C3=CC=CC=C3)CN
InChI
InChI=1S/C12H13F2N/c13-12(14)10(8-15)6-11(12,7-10)9-4-2-1-3-5-9/h1-5H,6-8,15H2
InChIKey
MKWCFQXDZAPUDJ-UHFFFAOYSA-N
Compound name
(2,2-difluoro-3-phenyl-1-bicyclo[1.1.1]pentanyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.10161 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.108886 167.9
[M+Na]+ 232.090828 173.8
[M-H]- 208.094334 171.8
[M+NH4]+ 227.135433 174.6
[M+K]+ 248.064768 176.7
[M+H-H2O]+ 192.098870 153.2
[M+HCOO]- 254.099811 180.2
[M+CH3COO]- 268.115461 214.8
[M+Na-2H]- 230.076276 173.4
[M]+ 209.10106142 189.5
[M]- 209.10215858 189.5
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.