CID 825790

Alpha,alpha-dibromo-d-camphor

Structural Information

Molecular Formula
C10H14Br2O
SMILES
C[C@@]12CC[C@@H](C1(C)C)C(C2=O)(Br)Br
InChI
InChI=1S/C10H14Br2O/c1-8(2)6-4-5-9(8,3)7(13)10(6,11)12/h6H,4-5H2,1-3H3/t6-,9-/m0/s1
InChIKey
OFAQZCPBQBALHS-RCOVLWMOSA-N
Compound name
(1R,4S)-3,3-dibromo-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.94113 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.94841 149.5
[M+Na]+ 330.93035 163.1
[M-H]- 306.93385 156.8
[M+NH4]+ 325.97495 177.4
[M+K]+ 346.90429 148.1
[M+H-H2O]+ 290.93839 161.2
[M+HCOO]- 352.93933 164.0
[M+CH3COO]- 366.95498 205.2
[M+Na-2H]- 328.91580 156.0
[M]+ 307.94058 184.4
[M]- 307.94168 184.4
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

No patent data available for this compound.