CID 30145

20404-94-8

Structural Information

Molecular Formula
C5H3Br2F7O
SMILES
COC(C(C(F)(F)F)(C(F)(F)F)Br)(F)Br
InChI
InChI=1S/C5H3Br2F7O/c1-15-3(7,8)2(6,4(9,10)11)5(12,13)14/h1H3
InChIKey
SMXZUPDMRYGWRM-UHFFFAOYSA-N
Compound name
1,2-dibromo-1,3,3,3-tetrafluoro-1-methoxy-2-(trifluoromethyl)propane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.8439 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.85118 173.1
[M+Na]+ 392.83312 184.9
[M-H]- 368.83662 170.8
[M+NH4]+ 387.87772 189.4
[M+K]+ 408.80706 168.6
[M+H-H2O]+ 352.84116 177.0
[M+HCOO]- 414.84210 178.5
[M+CH3COO]- 428.85775 211.6
[M+Na-2H]- 390.81857 177.6
[M]+ 369.84335 197.6
[M]- 369.84445 197.6
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.