CID 116841633

1-bromo-4-[cyclopropyl(difluoro)methyl]benzene

Structural Information

Molecular Formula
C10H9BrF2
SMILES
C1CC1C(C2=CC=C(C=C2)Br)(F)F
InChI
InChI=1S/C10H9BrF2/c11-9-5-3-8(4-6-9)10(12,13)7-1-2-7/h3-7H,1-2H2
InChIKey
XCFJMIGURKUZKD-UHFFFAOYSA-N
Compound name
1-bromo-4-[cyclopropyl(difluoro)methyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

245.98557 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.992846 143.6
[M+Na]+ 268.974788 156.8
[M-H]- 244.978294 151.3
[M+NH4]+ 264.019393 160.2
[M+K]+ 284.948728 145.1
[M+H-H2O]+ 228.982830 141.8
[M+HCOO]- 290.983771 162.5
[M+CH3COO]- 304.999421 192.8
[M+Na-2H]- 266.960236 151.2
[M]+ 245.98502142 160.4
[M]- 245.98611858 160.4
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