CID 137422

2-bromo-1-chloro-2-methylpropane

Structural Information

Molecular Formula
C4H8BrCl
SMILES
CC(C)(CCl)Br
InChI
InChI=1S/C4H8BrCl/c1-4(2,5)3-6/h3H2,1-2H3
InChIKey
YEZMNTBSGDUYBT-UHFFFAOYSA-N
Compound name
2-bromo-1-chloro-2-methylpropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

169.94978 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.95706 126.2
[M+Na]+ 192.93900 139.3
[M-H]- 168.94250 129.9
[M+NH4]+ 187.98360 151.3
[M+K]+ 208.91294 127.9
[M+H-H2O]+ 152.94704 129.0
[M+HCOO]- 214.94798 142.3
[M+CH3COO]- 228.96363 176.6
[M+Na-2H]- 190.92445 135.6
[M]+ 169.94923 146.2
[M]- 169.95033 146.2
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.