CID 81364

1-bromo-4-chlorobutane

Structural Information

Molecular Formula
C4H8BrCl
SMILES
C(CCBr)CCl
InChI
InChI=1S/C4H8BrCl/c5-3-1-2-4-6/h1-4H2
InChIKey
NIDSRGCVYOEDFW-UHFFFAOYSA-N
Compound name
1-bromo-4-chlorobutane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

4553
Patents

169.94978 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.95706 125.2
[M+Na]+ 192.93900 137.8
[M-H]- 168.94250 128.5
[M+NH4]+ 187.98360 150.2
[M+K]+ 208.91294 126.2
[M+H-H2O]+ 152.94704 127.5
[M+HCOO]- 214.94798 142.8
[M+CH3COO]- 228.96363 176.4
[M+Na-2H]- 190.92445 134.2
[M]+ 169.94923 145.7
[M]- 169.95033 145.7
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.