CID 165671092

1-(4-chlorophenyl)-2,2-difluorocyclopropan-1-amine hydrochloride

Structural Information

Molecular Formula
C9H8ClF2N
SMILES
C1C(C1(F)F)(C2=CC=C(C=C2)Cl)N
InChI
InChI=1S/C9H8ClF2N/c10-7-3-1-6(2-4-7)8(13)5-9(8,11)12/h1-4H,5,13H2
InChIKey
QTCBCEXDNQFVQT-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-2,2-difluorocyclopropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.03133 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.03861 130.0
[M+Na]+ 226.02055 142.1
[M-H]- 202.02405 135.4
[M+NH4]+ 221.06515 148.6
[M+K]+ 241.99449 138.2
[M+H-H2O]+ 186.02859 124.8
[M+HCOO]- 248.02953 148.4
[M+CH3COO]- 262.04518 187.9
[M+Na-2H]- 224.00600 137.5
[M]+ 203.03078 130.7
[M]- 203.03188 130.7
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.