CID 121599972

1-bromo-3-chloro-2-methoxy-2-methylpropane

Structural Information

Molecular Formula
C5H10BrClO
SMILES
CC(CCl)(CBr)OC
InChI
InChI=1S/C5H10BrClO/c1-5(3-6,4-7)8-2/h3-4H2,1-2H3
InChIKey
JTKXEGRMYHMZHH-UHFFFAOYSA-N
Compound name
1-bromo-3-chloro-2-methoxy-2-methylpropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.96036 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.96764 133.6
[M+Na]+ 222.94958 146.2
[M-H]- 198.95308 137.0
[M+NH4]+ 217.99418 157.6
[M+K]+ 238.92352 134.9
[M+H-H2O]+ 182.95762 136.0
[M+HCOO]- 244.95856 149.6
[M+CH3COO]- 258.97421 181.2
[M+Na-2H]- 220.93503 142.4
[M]+ 199.95981 155.3
[M]- 199.96091 155.3
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.