CID 6359

Bromodichloromethane

Structural Information

Molecular Formula
CHBrCl2
SMILES
C(Cl)(Cl)Br
InChI
InChI=1S/CHBrCl2/c2-1(3)4/h1H
InChIKey
FMWLUWPQPKEARP-UHFFFAOYSA-N
Compound name
bromo(dichloro)methane
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

294
References

5599
Patents

161.86388 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.87116 116.0
[M+Na]+ 184.85310 130.1
[M-H]- 160.85660 119.2
[M+NH4]+ 179.89770 141.5
[M+K]+ 200.82704 117.8
[M+H-H2O]+ 144.86114 119.6
[M+HCOO]- 206.86208 128.8
[M+CH3COO]- 220.87773 173.4
[M+Na-2H]- 182.83855 124.8
[M]+ 161.86333 135.3
[M]- 161.86443 135.3
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.