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

4351
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

literature stripe

Patent stripe

patents stripe