CID 6383

Bromotrichloromethane

Structural Information

Molecular Formula
CBrCl3
SMILES
C(Cl)(Cl)(Cl)Br
InChI
InChI=1S/CBrCl3/c2-1(3,4)5
InChIKey
XNNQFQFUQLJSQT-UHFFFAOYSA-N
Compound name
bromo(trichloro)methane
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

102
References

8097
Patents

195.8249 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.83218 122.6
[M+Na]+ 218.81412 137.3
[M-H]- 194.81762 125.0
[M+NH4]+ 213.85872 146.6
[M+K]+ 234.78806 123.9
[M+H-H2O]+ 178.82216 126.9
[M+HCOO]- 240.82310 129.6
[M+CH3COO]- 254.83875 178.6
[M+Na-2H]- 216.79957 131.8
[M]+ 195.82435 141.2
[M]- 195.82545 141.2
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