CID 140268356

1-bromo-3-(2,2-difluoro-1-methylcyclopropyl)benzene

Structural Information

Molecular Formula
C10H9BrF2
SMILES
CC1(CC1(F)F)C2=CC(=CC=C2)Br
InChI
InChI=1S/C10H9BrF2/c1-9(6-10(9,12)13)7-3-2-4-8(11)5-7/h2-5H,6H2,1H3
InChIKey
KKFJNLILHNGWDH-UHFFFAOYSA-N
Compound name
1-bromo-3-(2,2-difluoro-1-methylcyclopropyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

245.98557 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.992846 140.3
[M+Na]+ 268.974788 155.4
[M-H]- 244.978294 148.9
[M+NH4]+ 264.019393 160.8
[M+K]+ 284.948728 145.1
[M+H-H2O]+ 228.982830 140.4
[M+HCOO]- 290.983771 160.2
[M+CH3COO]- 304.999421 192.9
[M+Na-2H]- 266.960236 148.9
[M]+ 245.98502142 159.1
[M]- 245.98611858 159.1
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