CID 56636251

Butane, 4-bromo-1,1-dichloro-

Structural Information

Molecular Formula
C4H7BrCl2
SMILES
C(CC(Cl)Cl)CBr
InChI
InChI=1S/C4H7BrCl2/c5-3-1-2-4(6)7/h4H,1-3H2
InChIKey
TYSUVCDQZJIIOR-UHFFFAOYSA-N
Compound name
4-bromo-1,1-dichlorobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

203.91081 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.91809 130.1
[M+Na]+ 226.90003 143.0
[M-H]- 202.90353 132.8
[M+NH4]+ 221.94463 154.0
[M+K]+ 242.87397 130.0
[M+H-H2O]+ 186.90807 133.1
[M+HCOO]- 248.90901 141.9
[M+CH3COO]- 262.92466 181.7
[M+Na-2H]- 224.88548 137.3
[M]+ 203.91026 150.4
[M]- 203.91136 150.4
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

patents stripe