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

234
Patents

191.93976 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.94704 132.1
[M+Na]+ 214.92898 143.8
[M-H]- 190.93248 130.6
[M+NH4]+ 209.97358 154.4
[M+K]+ 230.90292 133.4
[M+H-H2O]+ 174.93702 131.3
[M+HCOO]- 236.93796 147.6
[M+CH3COO]- 250.95361 177.2
[M+Na-2H]- 212.91443 138.3
[M]+ 191.93921 145.2
[M]- 191.94031 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