CID 534005

2-bromo-3,3,3-trifluoropropan-1-ol

Structural Information

Molecular Formula
C3H4BrF3O
SMILES
C(C(C(F)(F)F)Br)O
InChI
InChI=1S/C3H4BrF3O/c4-2(1-8)3(5,6)7/h2,8H,1H2
InChIKey
FJNZCBUVTKMTNI-UHFFFAOYSA-N
Compound name
2-bromo-3,3,3-trifluoropropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

159
Patents

191.93976 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.947036 132.1
[M+Na]+ 214.928978 143.8
[M-H]- 190.932484 130.6
[M+NH4]+ 209.973583 154.4
[M+K]+ 230.902918 133.4
[M+H-H2O]+ 174.937020 131.3
[M+HCOO]- 236.937961 147.6
[M+CH3COO]- 250.953611 177.2
[M+Na-2H]- 212.914426 138.3
[M]+ 191.93921142 145.2
[M]- 191.94030858 145.2
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