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

718
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

literature stripe

Patent stripe

patents stripe