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

16
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

literature stripe

Patent stripe

patents stripe