CID 91564

1,2-dibromo-3-chloro-2-methylpropane

Structural Information

Molecular Formula
C4H7Br2Cl
SMILES
CC(CCl)(CBr)Br
InChI
InChI=1S/C4H7Br2Cl/c1-4(6,2-5)3-7/h2-3H2,1H3
InChIKey
DPDUMUDRFCRZGY-UHFFFAOYSA-N
Compound name
1,2-dibromo-3-chloro-2-methylpropane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

10
Patents

247.8603 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.86758 133.6
[M+Na]+ 270.84952 146.2
[M-H]- 246.85302 138.2
[M+NH4]+ 265.89412 155.3
[M+K]+ 286.82346 129.2
[M+H-H2O]+ 230.85756 143.2
[M+HCOO]- 292.85850 145.3
[M+CH3COO]- 306.87415 195.7
[M+Na-2H]- 268.83497 142.2
[M]+ 247.85975 168.4
[M]- 247.86085 168.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe