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]+ 246.99285 141.6
[M+Na]+ 268.97479 156.0
[M-H]- 244.97829 149.8
[M+NH4]+ 264.01939 160.3
[M+K]+ 284.94873 144.8
[M+H-H2O]+ 228.98283 140.6
[M+HCOO]- 290.98377 161.7
[M+CH3COO]- 304.99942 193.1
[M+Na-2H]- 266.96024 149.2
[M]+ 245.98502 159.8
[M]- 245.98612 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.