CID 95566

1-bromo-3-chloro-2-methylpropane

Structural Information

Molecular Formula
C4H8BrCl
SMILES
CC(CCl)CBr
InChI
InChI=1S/C4H8BrCl/c1-4(2-5)3-6/h4H,2-3H2,1H3
InChIKey
ZKDOQFPDSUOLGF-UHFFFAOYSA-N
Compound name
1-bromo-3-chloro-2-methylpropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

750
Patents

169.94978 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.95706 125.7
[M+Na]+ 192.93900 138.1
[M-H]- 168.94250 129.1
[M+NH4]+ 187.98360 150.7
[M+K]+ 208.91294 126.8
[M+H-H2O]+ 152.94704 128.1
[M+HCOO]- 214.94798 142.4
[M+CH3COO]- 228.96363 177.1
[M+Na-2H]- 190.92445 133.5
[M]+ 169.94923 145.6
[M]- 169.95033 145.6
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.