CID 15733904

374-04-9

Structural Information

Molecular Formula
C4H6BrF3
SMILES
CC(C)(C(F)(F)F)Br
InChI
InChI=1S/C4H6BrF3/c1-3(2,5)4(6,7)8/h1-2H3
InChIKey
QZHKPNGHZXEFHM-UHFFFAOYSA-N
Compound name
2-bromo-1,1,1-trifluoro-2-methylpropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

189.9605 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.96778 133.1
[M+Na]+ 212.94972 145.7
[M-H]- 188.95322 133.2
[M+NH4]+ 207.99432 156.4
[M+K]+ 228.92366 135.6
[M+H-H2O]+ 172.95776 132.8
[M+HCOO]- 234.95870 149.0
[M+CH3COO]- 248.97435 180.6
[M+Na-2H]- 210.93517 141.2
[M]+ 189.95995 147.1
[M]- 189.96105 147.1
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

patents stripe