CID 132354136

1-bromo-4-(2,2-difluoro-1-methylcyclopropyl)benzene

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

245.98557 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.99285 140.3
[M+Na]+ 268.97479 155.4
[M-H]- 244.97829 148.9
[M+NH4]+ 264.01939 160.8
[M+K]+ 284.94873 145.1
[M+H-H2O]+ 228.98283 140.4
[M+HCOO]- 290.98377 160.2
[M+CH3COO]- 304.99942 192.9
[M+Na-2H]- 266.96024 148.9
[M]+ 245.98502 159.1
[M]- 245.98612 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