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]+ 210.10889 167.9
[M+Na]+ 232.09083 173.8
[M-H]- 208.09433 171.8
[M+NH4]+ 227.13543 174.6
[M+K]+ 248.06477 176.7
[M+H-H2O]+ 192.09887 153.2
[M+HCOO]- 254.09981 180.2
[M+CH3COO]- 268.11546 214.8
[M+Na-2H]- 230.07628 173.4
[M]+ 209.10106 189.5
[M]- 209.10216 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.