CID 119055122

1,1-bis(bromomethyl)-3-methylcyclobutane

Structural Information

Molecular Formula
C7H12Br2
SMILES
CC1CC(C1)(CBr)CBr
InChI
InChI=1S/C7H12Br2/c1-6-2-7(3-6,4-8)5-9/h6H,2-5H2,1H3
InChIKey
ZZFMMCXKZZGXHN-UHFFFAOYSA-N
Compound name
1,1-bis(bromomethyl)-3-methylcyclobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.93057 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.93785 122.8
[M+Na]+ 276.91979 133.0
[M-H]- 252.92329 129.8
[M+NH4]+ 271.96439 140.4
[M+K]+ 292.89373 120.6
[M+H-H2O]+ 236.92783 129.0
[M+HCOO]- 298.92877 138.0
[M+CH3COO]- 312.94442 200.8
[M+Na-2H]- 274.90524 131.5
[M]+ 253.93002 162.1
[M]- 253.93112 162.1
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.