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]+ 170.957056 126.2
[M+Na]+ 192.938998 139.3
[M-H]- 168.942504 129.9
[M+NH4]+ 187.983603 151.3
[M+K]+ 208.912938 127.9
[M+H-H2O]+ 152.947040 129.0
[M+HCOO]- 214.947981 142.3
[M+CH3COO]- 228.963631 176.6
[M+Na-2H]- 190.924446 135.6
[M]+ 169.94923142 146.2
[M]- 169.95032858 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

literature stripe

Patent stripe

patents stripe