CID 136217

374-25-4

Structural Information

Molecular Formula
C4H3BrClF3
SMILES
C=CC(C(F)(F)Br)(F)Cl
InChI
InChI=1S/C4H3BrClF3/c1-2-3(6,7)4(5,8)9/h2H,1H2
InChIKey
VULPFOSLGWWARI-UHFFFAOYSA-N
Compound name
4-bromo-3-chloro-3,4,4-trifluorobut-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

106
Patents

221.90587 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.91315 135.2
[M+Na]+ 244.89509 149.0
[M-H]- 220.89859 135.2
[M+NH4]+ 239.93969 158.0
[M+K]+ 260.86903 136.0
[M+H-H2O]+ 204.90313 135.6
[M+HCOO]- 266.90407 147.0
[M+CH3COO]- 280.91972 183.8
[M+Na-2H]- 242.88054 143.2
[M]+ 221.90532 150.4
[M]- 221.90642 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

literature stripe

Patent stripe

patents stripe