CID 130059089

1-(6-chloropyridin-3-yl)-2,2-difluoroethan-1-amine

Structural Information

Molecular Formula
C7H7ClF2N2
SMILES
C1=CC(=NC=C1C(C(F)F)N)Cl
InChI
InChI=1S/C7H7ClF2N2/c8-5-2-1-4(3-12-5)6(11)7(9)10/h1-3,6-7H,11H2
InChIKey
PGEUBSYNANSJTG-UHFFFAOYSA-N
Compound name
1-(6-chloropyridin-3-yl)-2,2-difluoroethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.02658 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.03386 134.0
[M+Na]+ 215.01580 142.6
[M-H]- 191.01930 133.2
[M+NH4]+ 210.06040 152.4
[M+K]+ 230.98974 138.7
[M+H-H2O]+ 175.02384 126.6
[M+HCOO]- 237.02478 149.6
[M+CH3COO]- 251.04043 184.2
[M+Na-2H]- 213.00125 137.8
[M]+ 192.02603 130.8
[M]- 192.02713 130.8
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.