CID 31300

Teflurane

Structural Information

Molecular Formula
C2HBrF4
SMILES
C(C(F)(F)F)(F)Br
InChI
InChI=1S/C2HBrF4/c3-1(4)2(5,6)7/h1H
InChIKey
RZXZIZDRFQFCTA-UHFFFAOYSA-N
Compound name
2-bromo-1,1,1,2-tetrafluoroethane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

3
References

744
Patents

179.91978 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.927056 127.2
[M+Na]+ 202.908998 139.9
[M-H]- 178.912504 126.1
[M+NH4]+ 197.953603 150.6
[M+K]+ 218.882938 129.9
[M+H-H2O]+ 162.917040 125.8
[M+HCOO]- 224.917981 143.3
[M+CH3COO]- 238.933631 178.0
[M+Na-2H]- 200.894446 134.0
[M]+ 179.91923142 139.2
[M]- 179.92032858 139.2
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