CID 137943139

2260937-26-4

Structural Information

Molecular Formula
C7H9BrF2
SMILES
C1C(CC12CC(C2)(F)F)Br
InChI
InChI=1S/C7H9BrF2/c8-5-1-6(2-5)3-7(9,10)4-6/h5H,1-4H2
InChIKey
ZHRVVQWMNQSYHU-UHFFFAOYSA-N
Compound name
6-bromo-2,2-difluorospiro[3.3]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

209.98557 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.99285 119.7
[M+Na]+ 232.97479 129.9
[M-H]- 208.97829 126.2
[M+NH4]+ 228.01939 133.6
[M+K]+ 248.94873 125.2
[M+H-H2O]+ 192.98283 114.3
[M+HCOO]- 254.98377 135.6
[M+CH3COO]- 268.99942 195.2
[M+Na-2H]- 230.96024 128.3
[M]+ 209.98502 147.7
[M]- 209.98612 147.7
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