CID 155970398

2639437-56-0

Structural Information

Molecular Formula
C7H11F2N
SMILES
C1C2(CC1(C2)C(F)F)CN
InChI
InChI=1S/C7H11F2N/c8-5(9)7-1-6(2-7,3-7)4-10/h5H,1-4,10H2
InChIKey
UZTMJHKLLGDMIL-UHFFFAOYSA-N
Compound name
[3-(difluoromethyl)-1-bicyclo[1.1.1]pentanyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

147.08595 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.093226 156.1
[M+Na]+ 170.075168 160.0
[M-H]- 146.078674 157.2
[M+NH4]+ 165.119773 162.7
[M+K]+ 186.049108 165.1
[M+H-H2O]+ 130.083210 141.8
[M+HCOO]- 192.084151 167.4
[M+CH3COO]- 206.099801 207.1
[M+Na-2H]- 168.060616 160.5
[M]+ 147.08540142 176.7
[M]- 147.08649858 176.7
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

No patent data available for this compound.