CID 155978441

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

Structural Information

Molecular Formula
C9H8BrF2N
SMILES
C1C(C1(F)F)(C2=CC=C(C=C2)Br)N
InChI
InChI=1S/C9H8BrF2N/c10-7-3-1-6(2-4-7)8(13)5-9(8,11)12/h1-4H,5,13H2
InChIKey
CLMNSPCUICYKKR-UHFFFAOYSA-N
Compound name
1-(4-bromophenyl)-2,2-difluorocyclopropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

246.98082 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.98810 139.3
[M+Na]+ 269.97004 153.8
[M-H]- 245.97354 147.3
[M+NH4]+ 265.01464 159.0
[M+K]+ 285.94398 142.7
[M+H-H2O]+ 229.97808 139.0
[M+HCOO]- 291.97902 159.7
[M+CH3COO]- 305.99467 193.8
[M+Na-2H]- 267.95549 147.7
[M]+ 246.98027 156.2
[M]- 246.98137 156.2
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

patents stripe