CID 129416108

757203-97-7

Structural Information

Molecular Formula
C10H9BrF2
SMILES
C1=CC=C(C=C1)[C@H]2[C@@H](C2(F)F)CBr
InChI
InChI=1S/C10H9BrF2/c11-6-8-9(10(8,12)13)7-4-2-1-3-5-7/h1-5,8-9H,6H2/t8-,9-/m0/s1
InChIKey
OGBOSSUEGACYCT-IUCAKERBSA-N
Compound name
[(1R,3S)-3-(bromomethyl)-2,2-difluorocyclopropyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.98557 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.992846 141.6
[M+Na]+ 268.974788 156.0
[M-H]- 244.978294 149.8
[M+NH4]+ 264.019393 160.3
[M+K]+ 284.948728 144.8
[M+H-H2O]+ 228.982830 140.6
[M+HCOO]- 290.983771 161.7
[M+CH3COO]- 304.999421 193.1
[M+Na-2H]- 266.960236 149.2
[M]+ 245.98502142 159.8
[M]- 245.98611858 159.8
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.